4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile

C43H27N3 — CID 155081408

IUPAC4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H27N3/c44-28-31-24-25-32(45-40-20-7-2-15-34(40)35-16-3-8-21-41(35)45)27-38(31)30-13-11-12-29(26-30)33-14-1-6-19-39(33)46-42-22-9-4-17-36(42)37-18-5-10-23-43(37)46/h1-27H
InChIKeyHHJNJBNQZQVXCA-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.09
Rot. Bonds4

About 4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile

4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile (PubChem CID 155081408) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
PubChem CID155081408
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H27N3/c44-28-31-24-25-32(45-40-20-7-2-15-34(40)35-16-3-8-21-41(35)45)27-38(31)30-13-11-12-29(26-30)33-14-1-6-19-39(33)46-42-22-9-4-17-36(42)37-18-5-10-23-43(37)46/h1-27H
InChIKeyHHJNJBNQZQVXCA-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

5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
CID 155080790
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 148501028
4-carbazol-9-yl-2-[5-(2-carbazol-9-ylphenyl)-2-pyridinyl]benzonitrile
CID 155081796
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzene-1,3-dicarbonitrile
CID 155081385
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155081382
3-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile?
The IUPAC name of 4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile (CID 155081408) is 4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile?
The InChIKey is HHJNJBNQZQVXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c44-28-31-24-25-32(45-40-20-7-2-15-34(40)35-16-3-8-21-41(35)45)27-38(31)30-13-11-12-29(26-30)33-14-1-6-19-39(33)46-42-22-9-4-17-36(42)37-18-5-10-23-43(37)46/h1-27H.
What are the key properties of 4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile?
4-carbazol-9-yl-2-[3-(2-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 4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile is sourced from PubChem (CID 155081408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).