5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile

C43H27N3 — CID 155080617

IUPAC5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C43H27N3/c44-28-31-27-32(45-40-17-7-2-12-35(40)36-13-3-8-18-41(36)45)25-26-33(31)29-21-23-30(24-22-29)34-11-1-6-16-39(34)46-42-19-9-4-14-37(42)38-15-5-10-20-43(38)46/h1-27H
InChIKeyVWQDSRDITCDIMV-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.09
Rot. Bonds4

About 5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile

5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile (PubChem CID 155080617) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
PubChem CID155080617
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C43H27N3/c44-28-31-27-32(45-40-17-7-2-12-35(40)36-13-3-8-18-41(36)45)25-26-33(31)29-21-23-30(24-22-29)34-11-1-6-16-39(34)46-42-19-9-4-14-37(42)38-15-5-10-20-43(38)46/h1-27H
InChIKeyVWQDSRDITCDIMV-UHFFFAOYSA-N
XLogP11.09
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155079568
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
CID 155080790
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079511
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 154958170

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile?
The IUPAC name of 5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile (CID 155080617) is 5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile.
What is the SMILES notation for 5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile?
The canonical SMILES for 5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile?
The InChIKey is VWQDSRDITCDIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c44-28-31-27-32(45-40-17-7-2-12-35(40)36-13-3-8-18-41(36)45)25-26-33(31)29-21-23-30(24-22-29)34-11-1-6-16-39(34)46-42-19-9-4-14-37(42)38-15-5-10-20-43(38)46/h1-27H.
What are the key properties of 5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile?
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile has a molecular weight of 585.71 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile is sourced from PubChem (CID 155080617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).