4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile

C56H33N5 — CID 150999428

IUPAC4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1
InChIInChI=1S/C56H33N5/c57-34-36-17-21-38(22-18-36)40-29-41(39-23-19-37(35-58)20-24-39)31-44(30-40)61-55-32-42(59-51-13-5-1-9-45(51)46-10-2-6-14-52(46)59)25-27-49(55)50-28-26-43(33-56(50)61)60-53-15-7-3-11-47(53)48-12-4-8-16-54(48)60/h1-33H
InChIKeyLTUDKICCHHMKIO-UHFFFAOYSA-N
MW775.92 g/mol
LogP14.06
Rot. Bonds5

About 4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile

4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile (PubChem CID 150999428) has the molecular formula C56H33N5 and a molecular weight of 775.92 g/mol. Its IUPAC name is 4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
PubChem CID150999428
Molecular FormulaC56H33N5
Molecular Weight775.92 g/mol
Exact Mass775.27
IUPAC Name4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1
InChIInChI=1S/C56H33N5/c57-34-36-17-21-38(22-18-36)40-29-41(39-23-19-37(35-58)20-24-39)31-44(30-40)61-55-32-42(59-51-13-5-1-9-45(51)46-10-2-6-14-52(46)59)25-27-49(55)50-28-26-43(33-56(50)61)60-53-15-7-3-11-47(53)48-12-4-8-16-54(48)60/h1-33H
InChIKeyLTUDKICCHHMKIO-UHFFFAOYSA-N
XLogP14.06
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.92
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[3,5-bis(2,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 148822531
2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659751
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
CID 126610460
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[5-(4-cyanophenyl)-2,4-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-3-phenylphenyl]benzonitrile
CID 151871982
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile (CID 150999428) is 4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1.
What is the InChIKey of 4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is LTUDKICCHHMKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5/c57-34-36-17-21-38(22-18-36)40-29-41(39-23-19-37(35-58)20-24-39)31-44(30-40)61-55-32-42(59-51-13-5-1-9-45(51)46-10-2-6-14-52(46)59)25-27-49(55)50-28-26-43(33-56(50)61)60-53-15-7-3-11-47(53)48-12-4-8-16-54(48)60/h1-33H.
What are the key properties of 4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile?
4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 775.92 g/mol, XLogP of 14.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 150999428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).