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Chemical ID: 4316943

Cc1c(c2cc(c(cc2o1)CNc3cc(ccc3OC)c4ccccc4)OC)c5ccccc5

Chemical ID:

4316943

Name [?]:

2-methoxy-N-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-5-phenyl-aniline

SMILES [?]:

Cc1c(c2cc(c(cc2o1)CNc3cc(ccc3OC)c4ccccc4)OC)c5ccccc5

InChi [?]:

InChI=1/C30H27NO3/c1-20-30(22-12-8-5-9-13-22)25-18-28(33-3)24(17-29(25)34-20)19-31-26-16-23(14-15-27(26)32-2)21-10-6-4-7-11-21/h4-18,31H,19H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,28,24,32,23,25,31,33,22,26,30,34,16,17,14,8,5,11,2,21,29,15,7,4,13,18,6,9,3,12,19,27,10/E:(6,7)(8,9)(10,11)(12,13)/rA:34nCCCCCCCCCOCNCCCCCCOCCCCCCCOCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s7;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;d22;s23;d24;d21s25;s6;s27;s3;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₇NO₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2766
Area:	712.255
Solvation:	-5.52977
Coulombic:	-36.9892

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	449.54
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	7.28
LogP (Chemaxon):	6.85

Name Annotations

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

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