2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile

C43H27N3 — CID 155081407

IUPAC2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H27N3/c44-28-38-31(29-13-11-14-30(27-29)45-39-22-6-2-16-34(39)35-17-3-7-23-40(35)45)20-12-21-32(38)33-15-1-8-24-41(33)46-42-25-9-4-18-36(42)37-19-5-10-26-43(37)46/h1-27H
InChIKeyYLPCRFUOLNQIDT-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.09
Rot. Bonds4

About 2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile

2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile (PubChem CID 155081407) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
PubChem CID155081407
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H27N3/c44-28-38-31(29-13-11-14-30(27-29)45-39-22-6-2-16-34(39)35-17-3-7-23-40(35)45)20-12-21-32(38)33-15-1-8-24-41(33)46-42-25-9-4-18-36(42)37-19-5-10-26-43(37)46/h1-27H
InChIKeyYLPCRFUOLNQIDT-UHFFFAOYSA-N
XLogP11.09
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155080518
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155080249
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-1,2-dihydrocarbazole-4-carbonitrile
CID 167280419
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600
9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147223871
4-(2-carbazol-9-ylphenyl)-2-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155604943
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-8-isocyanocarbazole-3-carbonitrile
CID 155603610
9-[4-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079498
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile?
The IUPAC name of 2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile (CID 155081407) is 2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile?
The canonical SMILES for 2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile is N#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cccc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile?
The InChIKey is YLPCRFUOLNQIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c44-28-38-31(29-13-11-14-30(27-29)45-39-22-6-2-16-34(39)35-17-3-7-23-40(35)45)20-12-21-32(38)33-15-1-8-24-41(33)46-42-25-9-4-18-36(42)37-19-5-10-26-43(37)46/h1-27H.
What are the key properties of 2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile?
2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile has a molecular weight of 585.71 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 155081407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).