5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile

C38H22N4 — CID 129312878

IUPAC5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H22N4/c39-23-25-19-26(24-40)21-27(20-25)29-18-17-28(41-34-13-5-1-9-30(34)31-10-2-6-14-35(31)41)22-38(29)42-36-15-7-3-11-32(36)33-12-4-8-16-37(33)42/h1-22H
InChIKeyWSEOREGIHCRZDP-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

About 5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile

5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 129312878) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID129312878
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H22N4/c39-23-25-19-26(24-40)21-27(20-25)29-18-17-28(41-34-13-5-1-9-30(34)31-10-2-6-14-35(31)41)22-38(29)42-36-15-7-3-11-32(36)33-12-4-8-16-37(33)42/h1-22H
InChIKeyWSEOREGIHCRZDP-UHFFFAOYSA-N
XLogP9.29
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyren-1-yl]benzene-1,3-dicarbonitrile
CID 145009651
5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538809
3,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]benzonitrile
CID 130353563
9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 138570297
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
5-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612242
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 155081033
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292
5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538845
3-[4-[3-(2-carbazol-9-ylcarbazol-9-yl)-4-phenylphenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 170097155
3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476143

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile (CID 129312878) is 5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is WSEOREGIHCRZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-19-26(24-40)21-27(20-25)29-18-17-28(41-34-13-5-1-9-30(34)31-10-2-6-14-35(31)41)22-38(29)42-36-15-7-3-11-32(36)33-12-4-8-16-37(33)42/h1-22H.
What are the key properties of 5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 534.62 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 129312878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).