2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole

C84H60F9N5 — CID 161455760

IUPAC2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccccc2C(F)(F)F)c(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1C#N.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(F)(F)F)c(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C42H30F6N2.C42H30F3N3/c1-23-9-13-35-28(17-23)29-18-24(2)10-14-36(29)49(35)39-22-34(42(46,47)48)40(21-32(39)27-7-5-6-8-33(27)41(43,44)45)50-37-15-11-25(3)19-30(37)31-20-26(4)12-16-38(31)50;1-24-9-13-36-30(17-24)31-18-25(2)10-14-37(31)47(36)40-22-34(29-7-5-6-8-35(29)42(43,44)45)41(21-28(40)23-46)48-38-15-11-26(3)19-32(38)33-20-27(4)12-16-39(33)48/h5-22H,1-4H3;5-22H,1-4H3
InChIKeyWBCYXHIPCIKEMD-UHFFFAOYSA-N
MW1310.42 g/mol
LogP24.49
Rot. Bonds6

About 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole

2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole (PubChem CID 161455760) has the molecular formula C84H60F9N5 and a molecular weight of 1310.42 g/mol. Its IUPAC name is 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
PubChem CID161455760
Molecular FormulaC84H60F9N5
Molecular Weight1310.42 g/mol
Exact Mass1309.47
IUPAC Name2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccccc2C(F)(F)F)c(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1C#N.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(F)(F)F)c(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C42H30F6N2.C42H30F3N3/c1-23-9-13-35-28(17-23)29-18-24(2)10-14-36(29)49(35)39-22-34(42(46,47)48)40(21-32(39)27-7-5-6-8-33(27)41(43,44)45)50-37-15-11-25(3)19-30(37)31-20-26(4)12-16-38(31)50;1-24-9-13-36-30(17-24)31-18-25(2)10-14-37(31)47(36)40-22-34(29-7-5-6-8-35(29)42(43,44)45)41(21-28(40)23-46)48-38-15-11-26(3)19-32(38)33-20-27(4)12-16-39(33)48/h5-22H,1-4H3;5-22H,1-4H3
InChIKeyWBCYXHIPCIKEMD-UHFFFAOYSA-N
XLogP24.49
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001310.42
LogP ≤ 524.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole with MolForge

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Related Compounds

2,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386441
2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157403628
2,5-bis(1,8-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(1,8-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-1,8-dimethylcarbazole
CID 159209598
9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
CID 159679728
2,5-bis(2-methylcarbazol-9-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-methyl-9-[4-(2-methylcarbazol-9-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 161271850
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386339
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
4-[2,4-bis(trifluoromethyl)phenyl]-2,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 138567394
4,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386399
4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822
2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[3-isocyano-5-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-[3-isocyano-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 159967050
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,5-bis(2,7-dimethylcarbazol-9-yl)benzonitrile
CID 153303102

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole (CID 161455760) is 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccccc2C(F)(F)F)c(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1C#N.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(F)(F)F)c(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole?
The InChIKey is WBCYXHIPCIKEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F6N2.C42H30F3N3/c1-23-9-13-35-28(17-23)29-18-24(2)10-14-36(29)49(35)39-22-34(42(46,47)48)40(21-32(39)27-7-5-6-8-33(27)41(43,44)45)50-37-15-11-25(3)19-30(37)31-20-26(4)12-16-38(31)50;1-24-9-13-36-30(17-24)31-18-25(2)10-14-37(31)47(36)40-22-34(29-7-5-6-8-35(29)42(43,44)45)41(21-28(40)23-46)48-38-15-11-26(3)19-32(38)33-20-27(4)12-16-39(33)48/h5-22H,1-4H3;5-22H,1-4H3.
What are the key properties of 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole?
2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 1310.42 g/mol, XLogP of 24.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 161455760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).