2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile

C63H37F6N3 — CID 134287516

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C63H37F6N3/c64-62(65,66)49-29-47(30-50(36-49)63(67,68)69)51-37-61(72-58-27-23-45(41-17-9-3-10-18-41)33-54(58)55-34-46(24-28-59(55)72)42-19-11-4-12-20-42)60(35-48(51)38-70)71-56-25-21-43(39-13-5-1-6-14-39)31-52(56)53-32-44(22-26-57(53)71)40-15-7-2-8-16-40/h1-37H
InChIKeyJVLLGTDWWJJSAA-UHFFFAOYSA-N
MW950.00 g/mol
LogP18.13
Rot. Bonds7

About 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile

2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile (PubChem CID 134287516) has the molecular formula C63H37F6N3 and a molecular weight of 950.00 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
PubChem CID134287516
Molecular FormulaC63H37F6N3
Molecular Weight950.00 g/mol
Exact Mass949.29
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C63H37F6N3/c64-62(65,66)49-29-47(30-50(36-49)63(67,68)69)51-37-61(72-58-27-23-45(41-17-9-3-10-18-41)33-54(58)55-34-46(24-28-59(55)72)42-19-11-4-12-20-42)60(35-48(51)38-70)71-56-25-21-43(39-13-5-1-6-14-39)31-52(56)53-32-44(22-26-57(53)71)40-15-7-2-8-16-40/h1-37H
InChIKeyJVLLGTDWWJJSAA-UHFFFAOYSA-N
XLogP18.13
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.00
LogP ≤ 518.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-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-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134300498
4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302142
4,5-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287669
4,5-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134292968
2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 134287528
2-(3,5-difluorophenyl)-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 154959925
4,5-bis[3-(3-cyanophenyl)carbazol-9-yl]-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 139562714
4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-[3-isocyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155654234
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 134473578
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566139
4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155218065
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 138499680

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile (CID 134287516) is 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile is N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile?
The InChIKey is JVLLGTDWWJJSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37F6N3/c64-62(65,66)49-29-47(30-50(36-49)63(67,68)69)51-37-61(72-58-27-23-45(41-17-9-3-10-18-41)33-54(58)55-34-46(24-28-59(55)72)42-19-11-4-12-20-42)60(35-48(51)38-70)71-56-25-21-43(39-13-5-1-6-14-39)31-52(56)53-32-44(22-26-57(53)71)40-15-7-2-8-16-40/h1-37H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile?
2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile has a molecular weight of 950.00 g/mol, XLogP of 18.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 134287516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).