3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile

C36H22N4 — CID 132917496

IUPAC3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3c3cccnc32)c1
InChIInChI=1S/C36H22N4/c37-23-24-9-6-12-27(21-24)40-33-19-18-25(22-31(33)29-15-8-20-38-36(29)40)28-14-7-17-34-35(28)30-13-4-5-16-32(30)39(34)26-10-2-1-3-11-26/h1-22H
InChIKeyLOWQYJSWCJSVHV-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.81
Rot. Bonds3

About 3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile

3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile (PubChem CID 132917496) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile
PubChem CID132917496
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3c3cccnc32)c1
InChIInChI=1S/C36H22N4/c37-23-24-9-6-12-27(21-24)40-33-19-18-25(22-31(33)29-15-8-20-38-36(29)40)28-14-7-17-34-35(28)30-13-4-5-16-32(30)39(34)26-10-2-1-3-11-26/h1-22H
InChIKeyLOWQYJSWCJSVHV-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

6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221841
6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 157443985
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 158281604
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile
CID 139351890
9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 158404712
6-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 159460585
2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 122414489
7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
9-(3,5-dipyridin-2-ylphenyl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 129221784
3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile
CID 139319666

Frequently Asked Questions

What is the IUPAC name of 3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile?
The IUPAC name of 3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile (CID 132917496) is 3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile.
What is the SMILES notation for 3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile?
The canonical SMILES for 3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile is N#Cc1cccc(-n2c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3c3cccnc32)c1.
What is the InChIKey of 3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile?
The InChIKey is LOWQYJSWCJSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c37-23-24-9-6-12-27(21-24)40-33-19-18-25(22-31(33)29-15-8-20-38-36(29)40)28-14-7-17-34-35(28)30-13-4-5-16-32(30)39(34)26-10-2-1-3-11-26/h1-22H.
What are the key properties of 3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile?
3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile 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 3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile is sourced from PubChem (CID 132917496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).