4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile

C65H36F3N7 — CID 146393831

IUPAC4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
SMILESCc1cc(-c2cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)ncc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C65H36F3N7/c1-39-26-52(28-53(27-39)65(66,67)68)54-33-64(75-61-24-20-50(46-14-6-42(36-71)7-15-46)31-57(61)58-32-51(21-25-62(58)75)47-16-8-43(37-72)9-17-47)73-38-63(54)74-59-22-18-48(44-10-2-40(34-69)3-11-44)29-55(59)56-30-49(19-23-60(56)74)45-12-4-41(35-70)5-13-45/h2-33,38H,1H3
InChIKeyDBLRXDPTKBLPDB-UHFFFAOYSA-N
MW972.05 g/mol
LogP16.42
Rot. Bonds7

About 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile

4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile (PubChem CID 146393831) has the molecular formula C65H36F3N7 and a molecular weight of 972.05 g/mol. Its IUPAC name is 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
PubChem CID146393831
Molecular FormulaC65H36F3N7
Molecular Weight972.05 g/mol
Exact Mass971.30
IUPAC Name4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
SMILESCc1cc(-c2cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)ncc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C65H36F3N7/c1-39-26-52(28-53(27-39)65(66,67)68)54-33-64(75-61-24-20-50(46-14-6-42(36-71)7-15-46)31-57(61)58-32-51(21-25-62(58)75)47-16-8-43(37-72)9-17-47)73-38-63(54)74-59-22-18-48(44-10-2-40(34-69)3-11-44)29-55(59)56-30-49(19-23-60(56)74)45-12-4-41(35-70)5-13-45/h2-33,38H,1H3
InChIKeyDBLRXDPTKBLPDB-UHFFFAOYSA-N
XLogP16.42
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.05
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-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

Frequently Asked Questions

What is the IUPAC name of 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile?
The IUPAC name of 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile (CID 146393831) is 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile.
What is the SMILES notation for 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile?
The canonical SMILES for 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile is Cc1cc(-c2cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)ncc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile?
The InChIKey is DBLRXDPTKBLPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H36F3N7/c1-39-26-52(28-53(27-39)65(66,67)68)54-33-64(75-61-24-20-50(46-14-6-42(36-71)7-15-46)31-57(61)58-32-51(21-25-62(58)75)47-16-8-43(37-72)9-17-47)73-38-63(54)74-59-22-18-48(44-10-2-40(34-69)3-11-44)29-55(59)56-30-49(19-23-60(56)74)45-12-4-41(35-70)5-13-45/h2-33,38H,1H3.
What are the key properties of 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile?
4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile has a molecular weight of 972.05 g/mol, XLogP of 16.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[5-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile is sourced from PubChem (CID 146393831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).