9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile

C45H25N5 — CID 155081620

IUPAC9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1C#N
InChIInChI=1S/C45H25N5/c46-26-29-16-22-44-39(24-29)38-12-7-8-33(27-47)45(38)50(44)40-23-21-32(25-34(40)28-48)30-17-19-31(20-18-30)35-9-1-4-13-41(35)49-42-14-5-2-10-36(42)37-11-3-6-15-43(37)49/h1-25H
InChIKeyMXXGERIERGCWRL-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile

9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile (PubChem CID 155081620) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile.

Molecular Properties

Compound Name9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
PubChem CID155081620
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1C#N
InChIInChI=1S/C45H25N5/c46-26-29-16-22-44-39(24-29)38-12-7-8-33(27-47)45(38)50(44)40-23-21-32(25-34(40)28-48)30-17-19-31(20-18-30)35-9-1-4-13-41(35)49-42-14-5-2-10-36(42)37-11-3-6-15-43(37)49/h1-25H
InChIKeyMXXGERIERGCWRL-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-cyano-4-[4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081622
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080166
9-[2-cyano-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155603815
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-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080053
6-carbazol-9-yl-9-[2-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958499
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315
9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081162
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080273

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile?
The IUPAC name of 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile (CID 155081620) is 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile.
What is the SMILES notation for 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile?
The canonical SMILES for 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1C#N.
What is the InChIKey of 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile?
The InChIKey is MXXGERIERGCWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-16-22-44-39(24-29)38-12-7-8-33(27-47)45(38)50(44)40-23-21-32(25-34(40)28-48)30-17-19-31(20-18-30)35-9-1-4-13-41(35)49-42-14-5-2-10-36(42)37-11-3-6-15-43(37)49/h1-25H.
What are the key properties of 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile?
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-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-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile is sourced from PubChem (CID 155081620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).