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Chemical ID: 5977172

c1ccc(cc1)CC(c2ccccc2)NC(=O)c3cc(nc4c3cccc4)c5ccccc5

Chemical ID:

5977172

Name [?]:

N-(1,2-diphenylethyl)-2-phenyl-quinoline-4-carboxamide

SMILES [?]:

c1ccc(cc1)CC(c2ccccc2)NC(=O)c3cc(nc4c3cccc4)c5ccccc5

InChi [?]:

InChI=1/C30H24N2O/c33-30(32-28(23-14-6-2-7-15-23)20-22-12-4-1-5-13-22)26-21-29(24-16-8-3-9-17-24)31-27-19-11-10-18-25(26)27/h1-19,21,28H,20H2,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,12,31,2,6,11,13,30,32,25,26,3,5,10,14,29,33,24,27,7,19,4,9,28,23,18,22,8,20,16,21,15,17/E:(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)/rA:33cCCCCCCCCCCCCCCNCOCCCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s8;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s20;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₄N₂O
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	13.7226
Area:	665.833
Solvation:	-2.92325
Coulombic:	-33.3003

Bond Count [?]

All:	37
Single:	22
Double:	15
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	428.524
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	7.24
LogP (Chemaxon):	6.99

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value