9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile

C45H25N5 — CID 155081651

IUPAC9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-17-19-44-39(23-29)40-24-30(27-47)18-20-45(40)49(44)33-22-31(28-48)21-32(25-33)34-9-1-2-10-35(34)36-11-3-6-14-41(36)50-42-15-7-4-12-37(42)38-13-5-8-16-43(38)50/h1-25H
InChIKeySSSJQLPZYVPFNQ-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile

9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile (PubChem CID 155081651) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
PubChem CID155081651
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-17-19-44-39(23-29)40-24-30(27-47)18-20-45(40)49(44)33-22-31(28-48)21-32(25-33)34-9-1-2-10-35(34)36-11-3-6-14-41(36)50-42-15-7-4-12-37(42)38-13-5-8-16-43(38)50/h1-25H
InChIKeySSSJQLPZYVPFNQ-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

9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 155081033
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079979
9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 121312489
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081565
9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 154958557
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile (CID 155081651) is 9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile is N#Cc1cc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is SSSJQLPZYVPFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-17-19-44-39(23-29)40-24-30(27-47)18-20-45(40)49(44)33-22-31(28-48)21-32(25-33)34-9-1-2-10-35(34)36-11-3-6-14-41(36)50-42-15-7-4-12-37(42)38-13-5-8-16-43(38)50/h1-25H.
What are the key properties of 9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile?
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile 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 9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 155081651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).