9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile

C39H21N5 — CID 139351913

IUPAC9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccc(C#N)cc3c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6C#N)c45)c32)cc1
InChIInChI=1S/C39H21N5/c40-22-25-15-18-28(19-16-25)43-37-20-17-26(23-41)21-34(37)33-12-6-10-31(38(33)43)32-11-5-9-30-29-8-2-4-14-36(29)44(39(30)32)35-13-3-1-7-27(35)24-42/h1-21H
InChIKeyMESDNIAYHPWPBM-UHFFFAOYSA-N
MW559.63 g/mol
LogP9.16
Rot. Bonds3

About 9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile

9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile (PubChem CID 139351913) has the molecular formula C39H21N5 and a molecular weight of 559.63 g/mol. Its IUPAC name is 9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
PubChem CID139351913
Molecular FormulaC39H21N5
Molecular Weight559.63 g/mol
Exact Mass559.18
IUPAC Name9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccc(C#N)cc3c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6C#N)c45)c32)cc1
InChIInChI=1S/C39H21N5/c40-22-25-15-18-28(19-16-25)43-37-20-17-26(23-41)21-34(37)33-12-6-10-31(38(33)43)32-11-5-9-30-29-8-2-4-14-36(29)44(39(30)32)35-13-3-1-7-27(35)24-42/h1-21H
InChIKeyMESDNIAYHPWPBM-UHFFFAOYSA-N
XLogP9.16
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.63
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351879
2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile
CID 139351874
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080053
9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155079745
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958136
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974
9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080166
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[4-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080563

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile (CID 139351913) is 9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile is N#Cc1ccc(-n2c3ccc(C#N)cc3c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6C#N)c45)c32)cc1.
What is the InChIKey of 9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile?
The InChIKey is MESDNIAYHPWPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H21N5/c40-22-25-15-18-28(19-16-25)43-37-20-17-26(23-41)21-34(37)33-12-6-10-31(38(33)43)32-11-5-9-30-29-8-2-4-14-36(29)44(39(30)32)35-13-3-1-7-27(35)24-42/h1-21H.
What are the key properties of 9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile?
9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile has a molecular weight of 559.63 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 139351913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).