5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile

C70H37F21N4 — CID 134302143

IUPAC5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4cc(-c5cc(C)nc(C)c5)c(C#N)cc4-n4c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)ccc5c5ccc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc54)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C70H37F21N4/c1-33-12-40(16-46(13-33)64(71,72)73)36-4-8-55-56-11-7-39(43-21-51(69(86,87)88)30-52(22-43)70(89,90)91)26-61(56)95(60(55)23-36)63-31-57(44-14-34(2)93-35(3)15-44)45(32-92)27-62(63)94-58-24-37(41-17-47(65(74,75)76)28-48(18-41)66(77,78)79)5-9-53(58)54-10-6-38(25-59(54)94)42-19-49(67(80,81)82)29-50(20-42)68(83,84)85/h4-31H,1-3H3
InChIKeyRNMVIICTJMGIMN-UHFFFAOYSA-N
MW1333.05 g/mol
LogP23.54
Rot. Bonds7

About 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile

5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile (PubChem CID 134302143) has the molecular formula C70H37F21N4 and a molecular weight of 1333.05 g/mol. Its IUPAC name is 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
PubChem CID134302143
Molecular FormulaC70H37F21N4
Molecular Weight1333.05 g/mol
Exact Mass1332.27
IUPAC Name5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4cc(-c5cc(C)nc(C)c5)c(C#N)cc4-n4c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)ccc5c5ccc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc54)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C70H37F21N4/c1-33-12-40(16-46(13-33)64(71,72)73)36-4-8-55-56-11-7-39(43-21-51(69(86,87)88)30-52(22-43)70(89,90)91)26-61(56)95(60(55)23-36)63-31-57(44-14-34(2)93-35(3)15-44)45(32-92)27-62(63)94-58-24-37(41-17-47(65(74,75)76)28-48(18-41)66(77,78)79)5-9-53(58)54-10-6-38(25-59(54)94)42-19-49(67(80,81)82)29-50(20-42)68(83,84)85/h4-31H,1-3H3
InChIKeyRNMVIICTJMGIMN-UHFFFAOYSA-N
XLogP23.54
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.05
LogP ≤ 523.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile with MolForge

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Related Compounds

2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134296340
4,5-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134292968
4,5-bis(2,7-ditert-butylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295751
4-(4,6-dimethylpyrimidin-2-yl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 158411914
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[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134292984
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427412
4-(3-cyano-5-methylphenyl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159351324
5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 162612450
4,5-bis[3-(3-cyanophenyl)carbazol-9-yl]-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 139562714
2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 134287516
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134302144

Frequently Asked Questions

What is the IUPAC name of 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The IUPAC name of 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile (CID 134302143) is 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile is Cc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4cc(-c5cc(C)nc(C)c5)c(C#N)cc4-n4c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)ccc5c5ccc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc54)c3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The InChIKey is RNMVIICTJMGIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H37F21N4/c1-33-12-40(16-46(13-33)64(71,72)73)36-4-8-55-56-11-7-39(43-21-51(69(86,87)88)30-52(22-43)70(89,90)91)26-61(56)95(60(55)23-36)63-31-57(44-14-34(2)93-35(3)15-44)45(32-92)27-62(63)94-58-24-37(41-17-47(65(74,75)76)28-48(18-41)66(77,78)79)5-9-53(58)54-10-6-38(25-59(54)94)42-19-49(67(80,81)82)29-50(20-42)68(83,84)85/h4-31H,1-3H3.
What are the key properties of 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile?
5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile has a molecular weight of 1333.05 g/mol, XLogP of 23.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 134302143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).