4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile

C32H18N4 — CID 101136486

IUPAC4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N
InChIInChI=1S/C32H18N4/c33-19-21-17-31(35-27-13-5-1-9-23(27)24-10-2-6-14-28(24)35)32(18-22(21)20-34)36-29-15-7-3-11-25(29)26-12-4-8-16-30(26)36/h1-18H
InChIKeyBSQBWXBFVYTYOL-UHFFFAOYSA-N
MW458.52 g/mol
LogP7.62
Rot. Bonds2

About 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile

4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile (PubChem CID 101136486) has the molecular formula C32H18N4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
PubChem CID101136486
Molecular FormulaC32H18N4
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N
InChIInChI=1S/C32H18N4/c33-19-21-17-31(35-27-13-5-1-9-23(27)24-10-2-6-14-28(24)35)32(18-22(21)20-34)36-29-15-7-3-11-25(29)26-12-4-8-16-30(26)36/h1-18H
InChIKeyBSQBWXBFVYTYOL-UHFFFAOYSA-N
XLogP7.62
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile (CID 101136486) is 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N.
What is the InChIKey of 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile?
The InChIKey is BSQBWXBFVYTYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4/c33-19-21-17-31(35-27-13-5-1-9-23(27)24-10-2-6-14-28(24)35)32(18-22(21)20-34)36-29-15-7-3-11-25(29)26-12-4-8-16-30(26)36/h1-18H.
What are the key properties of 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile?
4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile has a molecular weight of 458.52 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 101136486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).