3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile

C51H29F6N3 — CID 142508809

IUPAC3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C51H29F6N3/c52-50(53,54)41-18-11-19-42(51(55,56)57)48(41)37-24-27-47(59-43-20-9-7-16-35(43)38-28-33(22-25-45(38)59)31-12-3-1-4-13-31)40(30-58)49(37)60-44-21-10-8-17-36(44)39-29-34(23-26-46(39)60)32-14-5-2-6-15-32/h1-29H
InChIKeyPLSVTPJPYPPMFP-UHFFFAOYSA-N
MW797.80 g/mol
LogP14.79
Rot. Bonds5

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

3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile (PubChem CID 142508809) has the molecular formula C51H29F6N3 and a molecular weight of 797.80 g/mol. Its IUPAC name is 3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile
PubChem CID142508809
Molecular FormulaC51H29F6N3
Molecular Weight797.80 g/mol
Exact Mass797.23
IUPAC Name3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C51H29F6N3/c52-50(53,54)41-18-11-19-42(51(55,56)57)48(41)37-24-27-47(59-43-20-9-7-16-35(43)38-28-33(22-25-45(38)59)31-12-3-1-4-13-31)40(30-58)49(37)60-44-21-10-8-17-36(44)39-29-34(23-26-46(39)60)32-14-5-2-6-15-32/h1-29H
InChIKeyPLSVTPJPYPPMFP-UHFFFAOYSA-N
XLogP14.79
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.80
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-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

3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 146519991
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146520055
2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146520059
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 146520993
9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-3-(2-cyanocarbazol-9-yl)phenyl]carbazole-2-carbonitrile
CID 137393096
3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 137381588
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 137392931
4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
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
2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386391
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 138499752

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile (CID 142508809) is 3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile is N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile?
The InChIKey is PLSVTPJPYPPMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29F6N3/c52-50(53,54)41-18-11-19-42(51(55,56)57)48(41)37-24-27-47(59-43-20-9-7-16-35(43)38-28-33(22-25-45(38)59)31-12-3-1-4-13-31)40(30-58)49(37)60-44-21-10-8-17-36(44)39-29-34(23-26-46(39)60)32-14-5-2-6-15-32/h1-29H.
What are the key properties of 3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile?
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile has a molecular weight of 797.80 g/mol, XLogP of 14.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 142508809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).