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Chemical ID: 6654716

CC(c1ccccc1)(c2ccc(cc2)Oc3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)Oc5ccc(cc5)[N+](=O)[O-]

Chemical ID:

6654716

Name [?]:

1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenyl-ethyl]-benzene

SMILES [?]:

CC(c1ccccc1)(c2ccc(cc2)Oc3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)Oc5ccc(cc5)[N+](=O)[O-]

InChi [?]:

InChI=1/C32H24N2O6/c1-32(23-5-3-2-4-6-23,24-7-15-28(16-8-24)39-30-19-11-26(12-20-30)33(35)36)25-9-17-29(18-10-25)40-31-21-13-27(14-22-31)34(37)38/h2-22H,1H3

InChi Info:

AuxInfo=1/0/N:1,6,5,7,4,8,10,14,26,30,18,20,34,36,11,13,27,29,17,21,33,37,3,9,25,19,35,12,28,16,32,2,22,38,23,24,39,40,15,31/E:(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20,21,22)(24,25)(26,27)(28,29)(30,31)(33,34)(35,36,37,38)(39,40)/CRV:33.5,34.5/rA:40nCCCCCCCCCCCCCCOCCCCCCN+OO-CCCCCCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s2;s25;d26;s27;d28;d25s29;s28;s31;s32;d33;s34;d35;d32s36;s35;d38;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₂₄N₂O₆
All Atoms:	40
Heavy Atoms:	40
Chiral Atoms:	0

ZAP Information [?]

Total:	5.10656
Area:	778.68
Solvation:	-14.3604
Coulombic:	-42.3491

Bond Count [?]

All:	44
Single:	27
Double:	17
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	532.543
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	9.08
LogP (Chemaxon):	9.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value