4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile

C43H26N4 — CID 59399298

IUPAC4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C43H26N4/c44-27-28-17-19-29(20-18-28)45-42-23-21-30(46-38-13-5-1-9-32(38)33-10-2-6-14-39(33)46)25-36(42)37-26-31(22-24-43(37)45)47-40-15-7-3-11-34(40)35-12-4-8-16-41(35)47/h1-26H
InChIKeyNXJWRRFHCDQKMW-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.85
Rot. Bonds3

About 4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile

4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile (PubChem CID 59399298) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
PubChem CID59399298
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C43H26N4/c44-27-28-17-19-29(20-18-28)45-42-23-21-30(46-38-13-5-1-9-32(38)33-10-2-6-14-39(33)46)25-36(42)37-26-31(22-24-43(37)45)47-40-15-7-3-11-34(40)35-12-4-8-16-41(35)47/h1-26H
InChIKeyNXJWRRFHCDQKMW-UHFFFAOYSA-N
XLogP10.85
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 155138269
4-[6-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-(4-cyanophenyl)pyrimidin-4-yl]benzonitrile
CID 126730531
4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
CID 122576030
4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile
CID 134414868
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile (CID 59399298) is 4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile is N#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of 4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile?
The InChIKey is NXJWRRFHCDQKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c44-27-28-17-19-29(20-18-28)45-42-23-21-30(46-38-13-5-1-9-32(38)33-10-2-6-14-39(33)46)25-36(42)37-26-31(22-24-43(37)45)47-40-15-7-3-11-34(40)35-12-4-8-16-41(35)47/h1-26H.
What are the key properties of 4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile?
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile has a molecular weight of 598.71 g/mol, XLogP of 10.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 59399298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).