3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile

C43H27N3 — CID 155081292

IUPAC3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H27N3/c44-28-29-20-25-34(43(26-29)46-41-18-7-3-14-37(41)38-15-4-8-19-42(38)46)32-11-9-10-31(27-32)30-21-23-33(24-22-30)45-39-16-5-1-12-35(39)36-13-2-6-17-40(36)45/h1-27H
InChIKeyDHLZDEKWELFRRO-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.09
Rot. Bonds4

About 3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile

3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile (PubChem CID 155081292) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
PubChem CID155081292
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H27N3/c44-28-29-20-25-34(43(26-29)46-41-18-7-3-14-37(41)38-15-4-8-19-42(38)46)32-11-9-10-31(27-32)30-21-23-33(24-22-30)45-39-16-5-1-12-35(39)36-13-2-6-17-40(36)45/h1-27H
InChIKeyDHLZDEKWELFRRO-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

9-[5-cyano-2-[3-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155079936
9-[4-[3-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155603738
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-[5-cyano-2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336467
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
9-[9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 149264127
9-[3-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 167280274
9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080699
3-[2-carbazol-9-yl-4-[4-[3-carbazol-9-yl-4-(3-cyanophenyl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170136080
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-4-carbonitrile
CID 154958609

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile (CID 155081292) is 3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile is N#Cc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile?
The InChIKey is DHLZDEKWELFRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c44-28-29-20-25-34(43(26-29)46-41-18-7-3-14-37(41)38-15-4-8-19-42(38)46)32-11-9-10-31(27-32)30-21-23-33(24-22-30)45-39-16-5-1-12-35(39)36-13-2-6-17-40(36)45/h1-27H.
What are the key properties of 3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile?
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]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 3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile is sourced from PubChem (CID 155081292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).