2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile

C112H65N7S3 — CID 163585093

About 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile

2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile (PubChem CID 163585093) has the molecular formula C112H65N7S3 and a molecular weight of 1605.00 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile
• PubChem CID: 163585093
• Molecular Formula: C112H65N7S3
• Molecular Weight: 1605.00 g/mol
• Exact Mass: 1603.45
• IUPAC Name: 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile
• SMILES: N#Cc1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)cc1-c1ccc2sc3ccccc3c2c1.N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1-c1ccc2sc3ccccc3c2c1
• InChI: InChI=1S/C38H21N3S.2C37H22N2S/c39-22-26-17-16-24(20-32(26)25-18-19-37-33(21-25)31-11-3-6-15-36(31)42-37)28-12-7-8-27(23-40)38(28)41-34-13-4-1-9-29(34)30-10-2-5-14-35(30)41;38-23-24-19-26(25-17-18-37-32(22-25)31-12-4-8-16-36(31)40-37)21-27(20-24)28-9-1-5-13-33(28)39-34-14-6-2-10-29(34)30-11-3-7-15-35(30)39;38-23-26-18-17-24(21-31(26)25-19-20-37-32(22-25)30-12-4-8-16-36(30)40-37)27-9-1-5-13-33(27)39-34-14-6-2-10-28(34)29-11-3-7-15-35(29)39/h1-21H;2*1-22H
• InChIKey: GKUSQUNKEPZXFT-UHFFFAOYSA-N
• XLogP: 30.94
• TPSA: 109.95 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1605.00
LogP ≤ 5	30.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile?

The IUPAC name of 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile (CID 163585093) is 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile.

What is the SMILES notation for 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile?

The canonical SMILES for 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile is N#Cc1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)cc1-c1ccc2sc3ccccc3c2c1.N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1-c1ccc2sc3ccccc3c2c1.

What is the InChIKey of 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile?

The InChIKey is GKUSQUNKEPZXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3S.2C37H22N2S/c39-22-26-17-16-24(20-32(26)25-18-19-37-33(21-25)31-11-3-6-15-36(31)42-37)28-12-7-8-27(23-40)38(28)41-34-13-4-1-9-29(34)30-10-2-5-14-35(30)41;38-23-24-19-26(25-17-18-37-32(22-25)31-12-4-8-16-36(31)40-37)21-27(20-24)28-9-1-5-13-33(28)39-34-14-6-2-10-29(34)30-11-3-7-15-35(30)39;38-23-26-18-17-24(21-31(26)25-19-20-37-32(22-25)30-12-4-8-16-36(30)40-37)27-9-1-5-13-33(27)39-34-14-6-2-10-28(34)29-11-3-7-15-35(29)39/h1-21H;2*1-22H.

What are the key properties of 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile?

2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile has a molecular weight of 1605.00 g/mol, XLogP of 30.94, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile is sourced from PubChem (CID 163585093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).