2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile

C36H22N4 — CID 139523629

IUPAC2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
SMILESN#Cc1cccc(-c2cnccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H22N4/c37-22-24-10-9-15-29(36(24)40-33-18-7-3-13-27(33)28-14-4-8-19-34(28)40)30-23-38-21-20-35(30)39-31-16-5-1-11-25(31)26-12-2-6-17-32(26)39/h1-21,23H
InChIKeyYCCPWXGCQHPJKX-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.81
Rot. Bonds3

About 2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile

2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile (PubChem CID 139523629) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
PubChem CID139523629
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
SMILESN#Cc1cccc(-c2cnccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H22N4/c37-22-24-10-9-15-29(36(24)40-33-18-7-3-13-27(33)28-14-4-8-19-34(28)40)30-23-38-21-20-35(30)39-31-16-5-1-11-25(31)26-12-2-6-17-32(26)39/h1-21,23H
InChIKeyYCCPWXGCQHPJKX-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

2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile
CID 139523878
2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523829
4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile
CID 146409612
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 129291094
2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile
CID 155604034
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542601
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
CID 162614133
3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile
CID 139523787
2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile
CID 153318477

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile (CID 139523629) is 2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile is N#Cc1cccc(-c2cnccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile?
The InChIKey is YCCPWXGCQHPJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c37-22-24-10-9-15-29(36(24)40-33-18-7-3-13-27(33)28-14-4-8-19-34(28)40)30-23-38-21-20-35(30)39-31-16-5-1-11-25(31)26-12-2-6-17-32(26)39/h1-21,23H.
What are the key properties of 2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile?
2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)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 2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile is sourced from PubChem (CID 139523629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).