9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile

C50H29N5 — CID 154958111

IUPAC9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1cc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)ccc1-n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C50H29N5/c51-30-33-12-11-18-42-40-17-5-10-23-48(40)55(50(33)42)44-19-6-1-13-36(44)32-24-27-43(34(28-32)31-52)54-47-22-9-4-16-39(47)41-26-25-35(29-49(41)54)53-45-20-7-2-14-37(45)38-15-3-8-21-46(38)53/h1-29H
InChIKeyIGJOTYSXHOVMSL-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile

9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 154958111) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
PubChem CID154958111
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1cc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)ccc1-n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C50H29N5/c51-30-33-12-11-18-42-40-17-5-10-23-48(40)55(50(33)42)44-19-6-1-13-36(44)32-24-27-43(34(28-32)31-52)54-47-22-9-4-16-39(47)41-26-25-35(29-49(41)54)53-45-20-7-2-14-37(45)38-15-3-8-21-46(38)53/h1-29H
InChIKeyIGJOTYSXHOVMSL-UHFFFAOYSA-N
XLogP12.39
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.82
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155081310
9-[5-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile
CID 152797352
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
6-carbazol-9-yl-9-[2-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958499
9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958901
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079598
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079630
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile (CID 154958111) is 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile is N#Cc1cc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)ccc1-n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is IGJOTYSXHOVMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-33-12-11-18-42-40-17-5-10-23-48(40)55(50(33)42)44-19-6-1-13-36(44)32-24-27-43(34(28-32)31-52)54-47-22-9-4-16-39(47)41-26-25-35(29-49(41)54)53-45-20-7-2-14-37(45)38-15-3-8-21-46(38)53/h1-29H.
What are the key properties of 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile?
9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile has a molecular weight of 699.82 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 154958111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).