2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile

C64H37N5 — CID 169284695

IUPAC2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C#N)cc(-c5ccccc5C#N)c4)ccc2n3-c2ccccc2-c2ccccc2)cc(-c2ccccc2C#N)c1
InChIInChI=1S/C64H37N5/c65-38-45-16-4-8-20-55(45)51-30-49(31-52(34-51)56-21-9-5-17-46(56)39-66)43-26-28-63-60(36-43)61-37-44(27-29-64(61)69(63)62-25-13-12-24-59(62)42-14-2-1-3-15-42)50-32-53(57-22-10-6-18-47(57)40-67)35-54(33-50)58-23-11-7-19-48(58)41-68/h1-37H
InChIKeyOXLCIYBVOHXKAK-UHFFFAOYSA-N
MW876.04 g/mol
LogP15.94
Rot. Bonds8

About 2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile

2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile (PubChem CID 169284695) has the molecular formula C64H37N5 and a molecular weight of 876.04 g/mol. Its IUPAC name is 2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile
PubChem CID169284695
Molecular FormulaC64H37N5
Molecular Weight876.04 g/mol
Exact Mass875.30
IUPAC Name2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C#N)cc(-c5ccccc5C#N)c4)ccc2n3-c2ccccc2-c2ccccc2)cc(-c2ccccc2C#N)c1
InChIInChI=1S/C64H37N5/c65-38-45-16-4-8-20-55(45)51-30-49(31-52(34-51)56-21-9-5-17-46(56)39-66)43-26-28-63-60(36-43)61-37-44(27-29-64(61)69(63)62-25-13-12-24-59(62)42-14-2-1-3-15-42)50-32-53(57-22-10-6-18-47(57)40-67)35-54(33-50)58-23-11-7-19-48(58)41-68/h1-37H
InChIKeyOXLCIYBVOHXKAK-UHFFFAOYSA-N
XLogP15.94
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.04
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 175219290
2-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 169284686
5-[3-(3-cyano-5-isocyanophenyl)-5-[6-[3-(3-cyano-5-isocyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile
CID 169284899
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
2-[3,6-bis[3,5-bis(4-deuteriophenyl)phenyl]carbazol-9-yl]benzonitrile
CID 169284925
2-[2-[4,6-bis[3-(2-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 162681288
2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496162
2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035747
3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole
CID 169284749
2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile
CID 130352968
2-[9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155463317
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122414420

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile?
The IUPAC name of 2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile (CID 169284695) is 2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C#N)cc(-c5ccccc5C#N)c4)ccc2n3-c2ccccc2-c2ccccc2)cc(-c2ccccc2C#N)c1.
What is the InChIKey of 2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile?
The InChIKey is OXLCIYBVOHXKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37N5/c65-38-45-16-4-8-20-55(45)51-30-49(31-52(34-51)56-21-9-5-17-46(56)39-66)43-26-28-63-60(36-43)61-37-44(27-29-64(61)69(63)62-25-13-12-24-59(62)42-14-2-1-3-15-42)50-32-53(57-22-10-6-18-47(57)40-67)35-54(33-50)58-23-11-7-19-48(58)41-68/h1-37H.
What are the key properties of 2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile?
2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile has a molecular weight of 876.04 g/mol, XLogP of 15.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 169284695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).