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

C62H36F3N5 — CID 121303123

IUPAC2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C62H36F3N5/c63-62(64,65)39-35-33-38(34-36-39)57-60(69-53-29-13-5-21-44(53)45-22-6-14-30-54(45)69)58(67-49-25-9-1-17-40(49)41-18-2-10-26-50(41)67)48(37-66)59(68-51-27-11-3-19-42(51)43-20-4-12-28-52(43)68)61(57)70-55-31-15-7-23-46(55)47-24-8-16-32-56(47)70/h1-36H
InChIKeyVFARJUCMVXIXTG-UHFFFAOYSA-N
MW908.00 g/mol
LogP16.63
Rot. Bonds5

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

2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 121303123) has the molecular formula C62H36F3N5 and a molecular weight of 908.00 g/mol. Its IUPAC name is 2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile
PubChem CID121303123
Molecular FormulaC62H36F3N5
Molecular Weight908.00 g/mol
Exact Mass907.29
IUPAC Name2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C62H36F3N5/c63-62(64,65)39-35-33-38(34-36-39)57-60(69-53-29-13-5-21-44(53)45-22-6-14-30-54(45)69)58(67-49-25-9-1-17-40(49)41-18-2-10-26-50(41)67)48(37-66)59(68-51-27-11-3-19-42(51)43-20-4-12-28-52(43)68)61(57)70-55-31-15-7-23-46(55)47-24-8-16-32-56(47)70/h1-36H
InChIKeyVFARJUCMVXIXTG-UHFFFAOYSA-N
XLogP16.63
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.00
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]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

9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 135130807
2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146532465
2,6-di(carbazol-9-yl)-3,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-phenylbenzonitrile
CID 137369191
3,4-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-5,6-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
CID 137368920
2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 121303132
3,5-di(carbazol-9-yl)-4-[3-(2,2-dimethylpropyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 153496727
2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
CID 167015423
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 121312232
2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 139302869
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile
CID 137369356
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile (CID 121303123) is 2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is VFARJUCMVXIXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36F3N5/c63-62(64,65)39-35-33-38(34-36-39)57-60(69-53-29-13-5-21-44(53)45-22-6-14-30-54(45)69)58(67-49-25-9-1-17-40(49)41-18-2-10-26-50(41)67)48(37-66)59(68-51-27-11-3-19-42(51)43-20-4-12-28-52(43)68)61(57)70-55-31-15-7-23-46(55)47-24-8-16-32-56(47)70/h1-36H.
What are the key properties of 2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile?
2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 908.00 g/mol, XLogP of 16.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 121303123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).