9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile

C34H17N5 — CID 126761643

IUPAC9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-c2cccc(-c3ccccc3)c2C#N)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C34H17N5/c35-18-22-9-11-33-30(15-22)31-16-23(19-36)10-12-34(31)39(33)27-14-24(20-37)13-26(17-27)29-8-4-7-28(32(29)21-38)25-5-2-1-3-6-25/h1-17H
InChIKeyVOLDSWRTLLICJV-UHFFFAOYSA-N
MW495.55 g/mol
LogP7.60
Rot. Bonds3

About 9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile

9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 126761643) has the molecular formula C34H17N5 and a molecular weight of 495.55 g/mol. Its IUPAC name is 9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
PubChem CID126761643
Molecular FormulaC34H17N5
Molecular Weight495.55 g/mol
Exact Mass495.15
IUPAC Name9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-c2cccc(-c3ccccc3)c2C#N)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C34H17N5/c35-18-22-9-11-33-30(15-22)31-16-23(19-36)10-12-34(31)39(33)27-14-24(20-37)13-26(17-27)29-8-4-7-28(32(29)21-38)25-5-2-1-3-6-25/h1-17H
InChIKeyVOLDSWRTLLICJV-UHFFFAOYSA-N
XLogP7.60
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640
9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 121312489
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(3,6-diisocyanocarbazol-9-yl)-6-phenylbenzonitrile
CID 140822606
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081651
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155080249
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 155081033
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
9-[4-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079498
9-[3-[2-cyano-5-(3-isocyanocarbazol-9-yl)-3-phenylphenyl]phenyl]carbazole-3-carbonitrile
CID 140822491
9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080699
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079979
4-carbazol-9-yl-6-[3-(3-cyanocarbazol-9-yl)-5-phenylphenyl]benzene-1,3-dicarbonitrile;9-[3-(3-carbazol-9-yl-5-cyanophenyl)-2-cyano-5-phenylphenyl]carbazole-3-carbonitrile;9-[3-(5-carbazol-9-yl-2-cyanophenyl)-4-cyano-5-phenylphenyl]carbazole-3-carbonitrile;9-[3-(3-carbazol-9-yl-5-cyanophenyl)-4-cyano-5-phenylphenyl]carbazole-3,6-dicarbonitrile
CID 161414501

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile (CID 126761643) is 9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile is N#Cc1cc(-c2cccc(-c3ccccc3)c2C#N)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is VOLDSWRTLLICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H17N5/c35-18-22-9-11-33-30(15-22)31-16-23(19-36)10-12-34(31)39(33)27-14-24(20-37)13-26(17-27)29-8-4-7-28(32(29)21-38)25-5-2-1-3-6-25/h1-17H.
What are the key properties of 9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile?
9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 495.55 g/mol, XLogP of 7.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-cyano-5-(2-cyano-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 126761643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).