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

C45H25N5 — CID 155081789

IUPAC9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1c(C#N)cccc1n2-c1cccc(-c2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C45H25N5/c46-26-29-18-23-42-39(24-29)44-33(27-47)9-7-17-43(44)49(42)35-11-5-8-32(25-35)30-19-21-31(22-20-30)36-14-6-10-34(28-48)45(36)50-40-15-3-1-12-37(40)38-13-2-4-16-41(38)50/h1-25H
InChIKeyAAEWADRWWISQHZ-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

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

9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile (PubChem CID 155081789) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile.

Molecular Properties

Compound Name9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
PubChem CID155081789
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1c(C#N)cccc1n2-c1cccc(-c2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C45H25N5/c46-26-29-18-23-42-39(24-29)44-33(27-47)9-7-17-43(44)49(42)35-11-5-8-32(25-35)30-19-21-31(22-20-30)36-14-6-10-34(28-48)45(36)50-40-15-3-1-12-37(40)38-13-2-4-16-41(38)50/h1-25H
InChIKeyAAEWADRWWISQHZ-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

2-carbazol-9-yl-3-[4-(3-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155079640
9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081730
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 154958107
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155081747
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081782
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-3,5-dicarbonitrile
CID 155605019
9-[2-cyano-6-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080276
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-6-cyanophenyl]carbazole-1-carbonitrile
CID 155079672
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-3,5-dicarbonitrile
CID 155080977
9-[9-[3-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazol-1-yl]carbazole-3-carbonitrile
CID 154958643
9-[3-[4-[2-(4-cyanocarbazol-9-yl)-4-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603548

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile?
The IUPAC name of 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile (CID 155081789) is 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile.
What is the SMILES notation for 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile?
The canonical SMILES for 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile is N#Cc1ccc2c(c1)c1c(C#N)cccc1n2-c1cccc(-c2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile?
The InChIKey is AAEWADRWWISQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-18-23-42-39(24-29)44-33(27-47)9-7-17-43(44)49(42)35-11-5-8-32(25-35)30-19-21-31(22-20-30)36-14-6-10-34(28-48)45(36)50-40-15-3-1-12-37(40)38-13-2-4-16-41(38)50/h1-25H.
What are the key properties of 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile?
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]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-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile is sourced from PubChem (CID 155081789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).