9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile

C45H25N5 — CID 155081782

IUPAC9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1c(C#N)cccc1n2-c1cccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2C#N)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-22-43-39(23-29)45-32(27-47)10-8-18-44(45)49(43)34-11-7-9-30(25-34)35-21-20-31(24-33(35)28-48)36-12-1-4-15-40(36)50-41-16-5-2-13-37(41)38-14-3-6-17-42(38)50/h1-25H
InChIKeyBERRKBJNLXCACL-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile

9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile (PubChem CID 155081782) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile.

Molecular Properties

Compound Name9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
PubChem CID155081782
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1c(C#N)cccc1n2-c1cccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2C#N)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-22-43-39(23-29)45-32(27-47)10-8-18-44(45)49(43)34-11-7-9-30(25-34)35-21-20-31(24-33(35)28-48)36-12-1-4-15-40(36)50-41-16-5-2-13-37(41)38-14-3-6-17-42(38)50/h1-25H
InChIKeyBERRKBJNLXCACL-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-[3-cyano-4-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080172
9-[4-[2-cyano-4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080180
9-[3-[5-cyano-2-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081657
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-3,5-dicarbonitrile
CID 155080977
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
9-[4-cyano-2-[3-[3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603860
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155080017
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081789
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile?
The IUPAC name of 9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile (CID 155081782) is 9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile.
What is the SMILES notation for 9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile?
The canonical SMILES for 9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile is N#Cc1ccc2c(c1)c1c(C#N)cccc1n2-c1cccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2C#N)c1.
What is the InChIKey of 9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile?
The InChIKey is BERRKBJNLXCACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-19-22-43-39(23-29)45-32(27-47)10-8-18-44(45)49(43)34-11-7-9-30(25-34)35-21-20-31(24-33(35)28-48)36-12-1-4-15-40(36)50-41-16-5-2-13-37(41)38-14-3-6-17-42(38)50/h1-25H.
What are the key properties of 9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile?
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-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-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile is sourced from PubChem (CID 155081782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).