3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile

C45H25N5 — CID 155081553

IUPAC3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(C#N)c1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C45H25N5/c46-26-29-16-22-43-38(24-29)37-12-3-6-15-42(37)50(43)44-23-19-33(27-47)39(28-48)45(44)32-9-7-8-31(25-32)30-17-20-34(21-18-30)49-40-13-4-1-10-35(40)36-11-2-5-14-41(36)49/h1-25H
InChIKeyZEANCIASAZHYDP-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile

3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile (PubChem CID 155081553) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
PubChem CID155081553
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(C#N)c1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C45H25N5/c46-26-29-16-22-43-38(24-29)37-12-3-6-15-42(37)50(43)44-23-19-33(27-47)39(28-48)45(44)32-9-7-8-31(25-32)30-17-20-34(21-18-30)49-40-13-4-1-10-35(40)36-11-2-5-14-41(36)49/h1-25H
InChIKeyZEANCIASAZHYDP-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-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081587
3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081614
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958782
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
2-carbazol-9-yl-3-[4-cyano-3-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,2-dicarbonitrile;3-(2-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)benzonitrile;9-[2-cyano-6-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 165003902
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
9-[5-cyano-2-[3-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155079936
3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081631

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile (CID 155081553) is 3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(C#N)c1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile?
The InChIKey is ZEANCIASAZHYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-16-22-43-38(24-29)37-12-3-6-15-42(37)50(43)44-23-19-33(27-47)39(28-48)45(44)32-9-7-8-31(25-32)30-17-20-34(21-18-30)49-40-13-4-1-10-35(40)36-11-2-5-14-41(36)49/h1-25H.
What are the key properties of 3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile?
3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-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 3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 155081553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).