5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile

C44H26N4 — CID 155080659

IUPAC5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)cc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C44H26N4/c45-27-29-25-30(47-40-20-8-4-16-34(40)35-17-5-9-21-41(35)47)26-38(39(29)28-46)32-14-2-1-13-31(32)33-15-3-10-22-42(33)48-43-23-11-6-18-36(43)37-19-7-12-24-44(37)48/h1-26H
InChIKeyDUAKMICVCJTMFI-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile

5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile (PubChem CID 155080659) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile
PubChem CID155080659
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)cc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C44H26N4/c45-27-29-25-30(47-40-20-8-4-16-34(40)35-17-5-9-21-41(35)47)26-38(39(29)28-46)32-14-2-1-13-31(32)33-15-3-10-22-42(33)48-43-23-11-6-18-36(43)37-19-7-12-24-44(37)48/h1-26H
InChIKeyDUAKMICVCJTMFI-UHFFFAOYSA-N
XLogP10.96
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079511
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
3-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294
4-(2-carbazol-9-ylphenyl)-2-(4-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079721
3-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2,3-dicyanophenyl]-5-carbazol-9-ylbenzene-1,2-dicarbonitrile
CID 129300340
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
3,5-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572197
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
5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
CID 155080790
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile (CID 155080659) is 5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)cc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c1C#N.
What is the InChIKey of 5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile?
The InChIKey is DUAKMICVCJTMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-25-30(47-40-20-8-4-16-34(40)35-17-5-9-21-41(35)47)26-38(39(29)28-46)32-14-2-1-13-31(32)33-15-3-10-22-42(33)48-43-23-11-6-18-36(43)37-19-7-12-24-44(37)48/h1-26H.
What are the key properties of 5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile?
5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile has a molecular weight of 610.72 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 155080659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).