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

C93H53F6N7 — CID 138499755

IUPAC3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C93H53F6N7/c94-92(95,96)75-26-17-27-76(93(97,98)99)91(75)56-37-42-69(90(49-56)106-88-46-40-59(103-81-32-13-5-22-65(81)66-23-6-14-33-82(66)103)52-73(88)74-53-60(41-47-89(74)106)104-83-34-15-7-24-67(83)68-25-8-16-35-84(68)104)70-48-55(54-100)36-43-85(70)105-86-44-38-57(101-77-28-9-1-18-61(77)62-19-2-10-29-78(62)101)50-71(86)72-51-58(39-45-87(72)105)102-79-30-11-3-20-63(79)64-21-4-12-31-80(64)102/h1-53H
InChIKeyCDGUSTIAKTUONW-UHFFFAOYSA-N
MW1382.48 g/mol
LogP25.51
Rot. Bonds8

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

3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile (PubChem CID 138499755) has the molecular formula C93H53F6N7 and a molecular weight of 1382.48 g/mol. Its IUPAC name is 3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
PubChem CID138499755
Molecular FormulaC93H53F6N7
Molecular Weight1382.48 g/mol
Exact Mass1381.43
IUPAC Name3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C93H53F6N7/c94-92(95,96)75-26-17-27-76(93(97,98)99)91(75)56-37-42-69(90(49-56)106-88-46-40-59(103-81-32-13-5-22-65(81)66-23-6-14-33-82(66)103)52-73(88)74-53-60(41-47-89(74)106)104-83-34-15-7-24-67(83)68-25-8-16-35-84(68)104)70-48-55(54-100)36-43-85(70)105-86-44-38-57(101-77-28-9-1-18-61(77)62-19-2-10-29-78(62)101)50-71(86)72-51-58(39-45-87(72)105)102-79-30-11-3-20-63(79)64-21-4-12-31-80(64)102/h1-53H
InChIKeyCDGUSTIAKTUONW-UHFFFAOYSA-N
XLogP25.51
TPSA53.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001382.48
LogP ≤ 525.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 138499420
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138498857
4-(3-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trifluoromethyl)phenyl]benzonitrile
CID 139526165
9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 138499425
4-(3-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-carbazol-9-ylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 161215511
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 138499752
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138498988
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
3-[2-[2,6-bis(trifluoromethyl)phenyl]-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499448
3-[2-[2,6-bis(trifluoromethyl)phenyl]-5-[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138500039
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499848
3-(3-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-carbazol-9-ylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[4-cyano-2-(3-cyano-6-isocyanocarbazol-9-yl)phenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[5-cyano-2-[2-(3-isocyanocarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 162068122

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile (CID 138499755) is 3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile is N#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile?
The InChIKey is CDGUSTIAKTUONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H53F6N7/c94-92(95,96)75-26-17-27-76(93(97,98)99)91(75)56-37-42-69(90(49-56)106-88-46-40-59(103-81-32-13-5-22-65(81)66-23-6-14-33-82(66)103)52-73(88)74-53-60(41-47-89(74)106)104-83-34-15-7-24-67(83)68-25-8-16-35-84(68)104)70-48-55(54-100)36-43-85(70)105-86-44-38-57(101-77-28-9-1-18-61(77)62-19-2-10-29-78(62)101)50-71(86)72-51-58(39-45-87(72)105)102-79-30-11-3-20-63(79)64-21-4-12-31-80(64)102/h1-53H.
What are the key properties of 3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile?
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile has a molecular weight of 1382.48 g/mol, XLogP of 25.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 138499755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).