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

C35H21N5 — CID 167507200

IUPAC3-(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
SMILESN#Cc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-n2c3ncccc3c3cccnc32)c1
InChIInChI=1S/C35H21N5/c36-22-23-19-24(21-25(20-23)39-34-29(12-7-17-37-34)30-13-8-18-38-35(30)39)26-9-1-4-14-31(26)40-32-15-5-2-10-27(32)28-11-3-6-16-33(28)40/h1-21H
InChIKeyIEPAOHQBDPTKHT-UHFFFAOYSA-N
MW511.59 g/mol
LogP8.21
Rot. Bonds3

About 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

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 (PubChem CID 167507200) has the molecular formula C35H21N5 and a molecular weight of 511.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID167507200
Molecular FormulaC35H21N5
Molecular Weight511.59 g/mol
Exact Mass511.18
IUPAC Name3-(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
SMILESN#Cc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-n2c3ncccc3c3cccnc32)c1
InChIInChI=1S/C35H21N5/c36-22-23-19-24(21-25(20-23)39-34-29(12-7-17-37-34)30-13-8-18-38-35(30)39)26-9-1-4-14-31(26)40-32-15-5-2-10-27(32)28-11-3-6-16-33(28)40/h1-21H
InChIKeyIEPAOHQBDPTKHT-UHFFFAOYSA-N
XLogP8.21
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081651
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155081382
3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
CID 176628062
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 154958557
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007
2-(3-carbazol-9-ylphenyl)-3-pyrido[2,3-b]indol-9-ylbenzonitrile
CID 167507297
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079979
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 155081033
3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile
CID 121312443
5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129312878
3-carbazol-9-yl-5-[4-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 155604698

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-n2c3ncccc3c3cccnc32)c1.
What is the InChIKey of 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?
The InChIKey is IEPAOHQBDPTKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5/c36-22-23-19-24(21-25(20-23)39-34-29(12-7-17-37-34)30-13-8-18-38-35(30)39)26-9-1-4-14-31(26)40-32-15-5-2-10-27(32)28-11-3-6-16-33(28)40/h1-21H.
What are the key properties of 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?
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 has a molecular weight of 511.59 g/mol, XLogP of 8.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167507200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).