2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile

C36H22N4 — CID 167507297

IUPAC2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cccnc32)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C36H22N4/c37-23-25-11-8-20-34(40-33-19-6-3-15-29(33)30-16-9-21-38-36(30)40)35(25)24-10-7-12-26(22-24)39-31-17-4-1-13-27(31)28-14-2-5-18-32(28)39/h1-22H
InChIKeyAWWOEHXXTGUSKH-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.81
Rot. Bonds3

About 2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile

2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile (PubChem CID 167507297) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile.

Molecular Properties

Compound Name2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile
PubChem CID167507297
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cccnc32)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C36H22N4/c37-23-25-11-8-20-34(40-33-19-6-3-15-29(33)30-16-9-21-38-36(30)40)35(25)24-10-7-12-26(22-24)39-31-17-4-1-13-27(31)28-14-2-5-18-32(28)39/h1-22H
InChIKeyAWWOEHXXTGUSKH-UHFFFAOYSA-N
XLogP8.81
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 154959166
2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139507231
3-carbazol-9-yl-2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155080464
9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081062
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 142495063
3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155079568
3-(2-carbazol-9-ylphenyl)-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzonitrile
CID 167507200
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523680
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-3,5-dicarbonitrile
CID 155080977
2-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,4-dicarbonitrile
CID 155080920

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile?
The IUPAC name of 2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile (CID 167507297) is 2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile.
What is the SMILES notation for 2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile?
The canonical SMILES for 2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile is N#Cc1cccc(-n2c3ccccc3c3cccnc32)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile?
The InChIKey is AWWOEHXXTGUSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c37-23-25-11-8-20-34(40-33-19-6-3-15-29(33)30-16-9-21-38-36(30)40)35(25)24-10-7-12-26(22-24)39-31-17-4-1-13-27(31)28-14-2-5-18-32(28)39/h1-22H.
What are the key properties of 2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile?
2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile has a molecular weight of 510.60 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile is sourced from PubChem (CID 167507297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).