4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile

C55H34N4 — CID 138708456

IUPAC4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C55H34N4/c56-35-36-21-23-37(24-22-36)42-11-1-2-12-43(42)38-25-27-39(28-26-38)57-54-31-29-40(58-50-17-7-3-13-44(50)45-14-4-8-18-51(45)58)33-48(54)49-34-41(30-32-55(49)57)59-52-19-9-5-15-46(52)47-16-6-10-20-53(47)59/h1-34H
InChIKeyHZNUXHVJOOKXKK-UHFFFAOYSA-N
MW750.91 g/mol
LogP14.18
Rot. Bonds5

About 4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile

4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile (PubChem CID 138708456) has the molecular formula C55H34N4 and a molecular weight of 750.91 g/mol. Its IUPAC name is 4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
PubChem CID138708456
Molecular FormulaC55H34N4
Molecular Weight750.91 g/mol
Exact Mass750.28
IUPAC Name4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C55H34N4/c56-35-36-21-23-37(24-22-36)42-11-1-2-12-43(42)38-25-27-39(28-26-38)57-54-31-29-40(58-50-17-7-3-13-44(50)45-14-4-8-18-51(45)58)33-48(54)49-34-41(30-32-55(49)57)59-52-19-9-5-15-46(52)47-16-6-10-20-53(47)59/h1-34H
InChIKeyHZNUXHVJOOKXKK-UHFFFAOYSA-N
XLogP14.18
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.91
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
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
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 154957965
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 155138269
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile?
The IUPAC name of 4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile (CID 138708456) is 4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile?
The canonical SMILES for 4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccccc2-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1.
What is the InChIKey of 4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile?
The InChIKey is HZNUXHVJOOKXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4/c56-35-36-21-23-37(24-22-36)42-11-1-2-12-43(42)38-25-27-39(28-26-38)57-54-31-29-40(58-50-17-7-3-13-44(50)45-14-4-8-18-51(45)58)33-48(54)49-34-41(30-32-55(49)57)59-52-19-9-5-15-46(52)47-16-6-10-20-53(47)59/h1-34H.
What are the key properties of 4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile?
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile has a molecular weight of 750.91 g/mol, XLogP of 14.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile is sourced from PubChem (CID 138708456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).