4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile

C49H30FN3 — CID 147225252

IUPAC4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc(-c2ccccc2F)cc1-n1c2ccccc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C49H30FN3/c50-43-20-10-7-17-37(43)36-29-48(52-44-21-11-8-18-38(44)40-25-23-34(27-46(40)52)32-13-3-1-4-14-32)42(31-51)49(30-36)53-45-22-12-9-19-39(45)41-26-24-35(28-47(41)53)33-15-5-2-6-16-33/h1-30H
InChIKeyCHVPWWPTLBCBRA-UHFFFAOYSA-N
MW679.80 g/mol
LogP12.89
Rot. Bonds5

About 4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile

4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile (PubChem CID 147225252) has the molecular formula C49H30FN3 and a molecular weight of 679.80 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile
PubChem CID147225252
Molecular FormulaC49H30FN3
Molecular Weight679.80 g/mol
Exact Mass679.24
IUPAC Name4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc(-c2ccccc2F)cc1-n1c2ccccc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C49H30FN3/c50-43-20-10-7-17-37(43)36-29-48(52-44-21-11-8-18-38(44)40-25-23-34(27-46(40)52)32-13-3-1-4-14-32)42(31-51)49(30-36)53-45-22-12-9-19-39(45)41-26-24-35(28-47(41)53)33-15-5-2-6-16-33/h1-30H
InChIKeyCHVPWWPTLBCBRA-UHFFFAOYSA-N
XLogP12.89
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.80
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile
CID 152833052
4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 142489544
2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785146
5-[9-[2-cyano-5-(3,5-dicyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 139538914
2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile
CID 154959862
2,6-di(carbazol-9-yl)-4-(2,4,6-trifluorophenyl)benzonitrile
CID 142489631
2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
CID 134300219
5-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465799
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 134300631
4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 155646771
2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216709
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 161454396

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile (CID 147225252) is 4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile is N#Cc1c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc(-c2ccccc2F)cc1-n1c2ccccc2c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile?
The InChIKey is CHVPWWPTLBCBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30FN3/c50-43-20-10-7-17-37(43)36-29-48(52-44-21-11-8-18-38(44)40-25-23-34(27-46(40)52)32-13-3-1-4-14-32)42(31-51)49(30-36)53-45-22-12-9-19-39(45)41-26-24-35(28-47(41)53)33-15-5-2-6-16-33/h1-30H.
What are the key properties of 4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile?
4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile has a molecular weight of 679.80 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 147225252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).