2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile

C160H104F12N12O — CID 163449530

IUPAC2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C#N)c(-c2cc(C)cc(C(F)(F)F)c2)cc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4ccccc4c4ccccc43)c2)cc(C(F)(F)F)c1.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)cc2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)c(C#N)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C43H32F3N3O.3C39H24F3N3/c1-24-6-10-37-33(16-24)34-17-25(2)7-11-38(34)49(37)42-22-32(28-14-27(4)15-30(19-28)43(44,45)46)29(23-47)20-41(42)48-39-12-8-26(3)18-35(39)36-21-31(50-5)9-13-40(36)48;1-24-18-25(20-27(19-24)39(40,41)42)32-22-37(44-33-14-6-2-10-28(33)29-11-3-7-15-34(29)44)26(23-43)21-38(32)45-35-16-8-4-12-30(35)31-13-5-9-17-36(31)45;1-24-18-25(20-27(19-24)39(40,41)42)26-21-37(44-33-14-6-2-10-28(33)29-11-3-7-15-34(29)44)32(23-43)38(22-26)45-35-16-8-4-12-30(35)31-13-5-9-17-36(31)45;1-24-20-25(22-26(21-24)39(40,41)42)27-18-19-37(44-33-14-6-2-10-28(33)29-11-3-7-15-34(29)44)32(23-43)38(27)45-35-16-8-4-12-30(35)31-13-5-9-17-36(31)45/h6-22H,1-5H3;3*2-22H,1H3
InChIKeyBFKWCYBYJXJPGW-UHFFFAOYSA-N
MW2438.65 g/mol
LogP43.92
Rot. Bonds13

About 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile

2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 163449530) has the molecular formula C160H104F12N12O and a molecular weight of 2438.65 g/mol. Its IUPAC name is 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
PubChem CID163449530
Molecular FormulaC160H104F12N12O
Molecular Weight2438.65 g/mol
Exact Mass2436.83
IUPAC Name2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C#N)c(-c2cc(C)cc(C(F)(F)F)c2)cc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4ccccc4c4ccccc43)c2)cc(C(F)(F)F)c1.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)cc2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)c(C#N)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C43H32F3N3O.3C39H24F3N3/c1-24-6-10-37-33(16-24)34-17-25(2)7-11-38(34)49(37)42-22-32(28-14-27(4)15-30(19-28)43(44,45)46)29(23-47)20-41(42)48-39-12-8-26(3)18-35(39)36-21-31(50-5)9-13-40(36)48;1-24-18-25(20-27(19-24)39(40,41)42)32-22-37(44-33-14-6-2-10-28(33)29-11-3-7-15-34(29)44)26(23-43)21-38(32)45-35-16-8-4-12-30(35)31-13-5-9-17-36(31)45;1-24-18-25(20-27(19-24)39(40,41)42)26-21-37(44-33-14-6-2-10-28(33)29-11-3-7-15-34(29)44)32(23-43)38(22-26)45-35-16-8-4-12-30(35)31-13-5-9-17-36(31)45;1-24-20-25(22-26(21-24)39(40,41)42)27-18-19-37(44-33-14-6-2-10-28(33)29-11-3-7-15-34(29)44)32(23-43)38(27)45-35-16-8-4-12-30(35)31-13-5-9-17-36(31)45/h6-22H,1-5H3;3*2-22H,1H3
InChIKeyBFKWCYBYJXJPGW-UHFFFAOYSA-N
XLogP43.92
TPSA143.83 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002438.65
LogP ≤ 543.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Related Compounds

2,5-bis(2-methylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295588
2,6-bis(3-tert-butylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295573
4,5-bis[3-(3-cyanophenyl)carbazol-9-yl]-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 139562714
4-(3-cyano-5-methylphenyl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159351324
4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162609134
2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295725
5-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137386723
2-(2,6-ditert-butylcarbazol-9-yl)-5-(2,7-ditert-butylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295590
2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295734
2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427685
3-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 142508548
2,6-bis(2,7-dimethylcarbazol-9-yl)-3-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162611014

Frequently Asked Questions

What is the IUPAC name of 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile (CID 163449530) is 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile is COc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C#N)c(-c2cc(C)cc(C(F)(F)F)c2)cc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4ccccc4c4ccccc43)c2)cc(C(F)(F)F)c1.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)cc2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)c(C#N)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is BFKWCYBYJXJPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32F3N3O.3C39H24F3N3/c1-24-6-10-37-33(16-24)34-17-25(2)7-11-38(34)49(37)42-22-32(28-14-27(4)15-30(19-28)43(44,45)46)29(23-47)20-41(42)48-39-12-8-26(3)18-35(39)36-21-31(50-5)9-13-40(36)48;1-24-18-25(20-27(19-24)39(40,41)42)32-22-37(44-33-14-6-2-10-28(33)29-11-3-7-15-34(29)44)26(23-43)21-38(32)45-35-16-8-4-12-30(35)31-13-5-9-17-36(31)45;1-24-18-25(20-27(19-24)39(40,41)42)26-21-37(44-33-14-6-2-10-28(33)29-11-3-7-15-34(29)44)32(23-43)38(22-26)45-35-16-8-4-12-30(35)31-13-5-9-17-36(31)45;1-24-20-25(22-26(21-24)39(40,41)42)27-18-19-37(44-33-14-6-2-10-28(33)29-11-3-7-15-34(29)44)32(23-43)38(27)45-35-16-8-4-12-30(35)31-13-5-9-17-36(31)45/h6-22H,1-5H3;3*2-22H,1H3.
What are the key properties of 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 2438.65 g/mol, XLogP of 43.92, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 163449530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).