5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile

C43H27N3 — CID 155079678

IUPAC5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)ccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H27N3/c44-28-31-26-30(34-14-1-6-19-39(34)46-42-22-9-4-17-37(42)38-18-5-10-23-43(38)46)24-25-33(31)29-12-11-13-32(27-29)45-40-20-7-2-15-35(40)36-16-3-8-21-41(36)45/h1-27H
InChIKeyLMDOHNSTLDXSCL-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.09
Rot. Bonds4

About 5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile

5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile (PubChem CID 155079678) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile.

Molecular Properties

Compound Name5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
PubChem CID155079678
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)ccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H27N3/c44-28-31-26-30(34-14-1-6-19-39(34)46-42-22-9-4-17-37(42)38-18-5-10-23-43(38)46)24-25-33(31)29-12-11-13-32(27-29)45-40-20-7-2-15-35(40)36-16-3-8-21-41(36)45/h1-27H
InChIKeyLMDOHNSTLDXSCL-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-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081782
5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
CID 155080790
2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile
CID 122430955
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 155081407
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007

Frequently Asked Questions

What is the IUPAC name of 5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile?
The IUPAC name of 5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile (CID 155079678) is 5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile.
What is the SMILES notation for 5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile?
The canonical SMILES for 5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile is N#Cc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)ccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile?
The InChIKey is LMDOHNSTLDXSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c44-28-31-26-30(34-14-1-6-19-39(34)46-42-22-9-4-17-37(42)38-18-5-10-23-43(38)46)24-25-33(31)29-12-11-13-32(27-29)45-40-20-7-2-15-35(40)36-16-3-8-21-41(36)45/h1-27H.
What are the key properties of 5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile?
5-(2-carbazol-9-ylphenyl)-2-(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 5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 155079678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).