3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile

C45H25N5 — CID 142466016

IUPAC3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccccc4c4ccccc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-10-9-12-32(22-29)45-43(49-39-17-6-3-14-35(39)36-15-4-7-18-40(36)49)23-30(27-47)24-44(45)50-41-19-8-5-16-37(41)38-21-20-31(25-42(38)50)34-13-2-1-11-33(34)28-48/h1-25H
InChIKeyCJNCEGXVCMHSQW-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile

3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile (PubChem CID 142466016) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
PubChem CID142466016
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccccc4c4ccccc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-10-9-12-32(22-29)45-43(49-39-17-6-3-14-35(39)36-15-4-7-18-40(36)49)23-30(27-47)24-44(45)50-41-19-8-5-16-37(41)38-21-20-31(25-42(38)50)34-13-2-1-11-33(34)28-48/h1-25H
InChIKeyCJNCEGXVCMHSQW-UHFFFAOYSA-N
XLogP10.83
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146237957
5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 139538817
4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyano-2-(3-cyanophenyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146237996
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 155377782
3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 148620715
3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216621
3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302096
5-[3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612269
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300624
3-[9-[2-(3-cyanophenyl)-3-[2-(3-cyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile
CID 142465716
4-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465875
4-(3-cyanophenyl)-2,5-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 155646695

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile (CID 142466016) is 3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile is N#Cc1cccc(-c2c(-n3c4ccccc4c4ccccc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)c1.
What is the InChIKey of 3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The InChIKey is CJNCEGXVCMHSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-10-9-12-32(22-29)45-43(49-39-17-6-3-14-35(39)36-15-4-7-18-40(36)49)23-30(27-47)24-44(45)50-41-19-8-5-16-37(41)38-21-20-31(25-42(38)50)34-13-2-1-11-33(34)28-48/h1-25H.
What are the key properties of 3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile has a molecular weight of 635.73 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 142466016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).