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

C61H38N4 — CID 138675154

IUPAC4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C61H38N4/c62-39-40-25-27-41(28-26-40)47-19-12-20-48(61(47)43-13-2-1-3-14-43)42-29-31-44(32-30-42)63-59-35-33-45(64-55-21-8-4-15-49(55)50-16-5-9-22-56(50)64)37-53(59)54-38-46(34-36-60(54)63)65-57-23-10-6-17-51(57)52-18-7-11-24-58(52)65/h1-38H
InChIKeyLRXJEOIYZRVBSX-UHFFFAOYSA-N
MW827.00 g/mol
LogP15.85
Rot. Bonds6

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

4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile (PubChem CID 138675154) has the molecular formula C61H38N4 and a molecular weight of 827.00 g/mol. Its IUPAC name is 4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
PubChem CID138675154
Molecular FormulaC61H38N4
Molecular Weight827.00 g/mol
Exact Mass826.31
IUPAC Name4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C61H38N4/c62-39-40-25-27-41(28-26-40)47-19-12-20-48(61(47)43-13-2-1-3-14-43)42-29-31-44(32-30-42)63-59-35-33-45(64-55-21-8-4-15-49(55)50-16-5-9-22-56(50)64)37-53(59)54-38-46(34-36-60(54)63)65-57-23-10-6-17-51(57)52-18-7-11-24-58(52)65/h1-38H
InChIKeyLRXJEOIYZRVBSX-UHFFFAOYSA-N
XLogP15.85
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.00
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 155138269
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
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
4-[5-(4-cyanophenyl)-2,4-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-3-phenylphenyl]benzonitrile
CID 151871982
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;4-[3-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 157150513
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile?
The IUPAC name of 4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile (CID 138675154) is 4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile.
What is the SMILES notation for 4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile?
The canonical SMILES for 4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile is N#Cc1ccc(-c2cccc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile?
The InChIKey is LRXJEOIYZRVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4/c62-39-40-25-27-41(28-26-40)47-19-12-20-48(61(47)43-13-2-1-3-14-43)42-29-31-44(32-30-42)63-59-35-33-45(64-55-21-8-4-15-49(55)50-16-5-9-22-56(50)64)37-53(59)54-38-46(34-36-60(54)63)65-57-23-10-6-17-51(57)52-18-7-11-24-58(52)65/h1-38H.
What are the key properties of 4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile?
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile has a molecular weight of 827.00 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile is sourced from PubChem (CID 138675154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).