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

C84H60F9N5 — CID 159209598

IUPAC2,5-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
SMILESCc1cccc2c3cccc(C)c3n(-c3cc(-c4ccccc4C(F)(F)F)c(-n4c5c(C)cccc5c5cccc(C)c54)cc3C#N)c12.Cc1cccc2c3cccc(C)c3n(-c3cc(C(F)(F)F)c(-n4c5c(C)cccc5c5cccc(C)c54)cc3-c3ccccc3C(F)(F)F)c12
InChIInChI=1S/C42H30F6N2.C42H30F3N3/c1-23-11-7-16-28-29-17-8-12-24(2)38(29)49(37(23)28)35-22-34(42(46,47)48)36(21-32(35)27-15-5-6-20-33(27)41(43,44)45)50-39-25(3)13-9-18-30(39)31-19-10-14-26(4)40(31)50;1-24-11-7-16-30-31-17-8-12-25(2)39(31)47(38(24)30)36-22-34(29-15-5-6-20-35(29)42(43,44)45)37(21-28(36)23-46)48-40-26(3)13-9-18-32(40)33-19-10-14-27(4)41(33)48/h5-22H,1-4H3;5-22H,1-4H3
InChIKeyKQIBHTUDKXTGEC-UHFFFAOYSA-N
MW1310.42 g/mol
LogP24.49
Rot. Bonds6

About 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

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 (PubChem CID 159209598) has the molecular formula C84H60F9N5 and a molecular weight of 1310.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID159209598
Molecular FormulaC84H60F9N5
Molecular Weight1310.42 g/mol
Exact Mass1309.47
IUPAC Name2,5-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
SMILESCc1cccc2c3cccc(C)c3n(-c3cc(-c4ccccc4C(F)(F)F)c(-n4c5c(C)cccc5c5cccc(C)c54)cc3C#N)c12.Cc1cccc2c3cccc(C)c3n(-c3cc(C(F)(F)F)c(-n4c5c(C)cccc5c5cccc(C)c54)cc3-c3ccccc3C(F)(F)F)c12
InChIInChI=1S/C42H30F6N2.C42H30F3N3/c1-23-11-7-16-28-29-17-8-12-24(2)38(29)49(37(23)28)35-22-34(42(46,47)48)36(21-32(35)27-15-5-6-20-33(27)41(43,44)45)50-39-25(3)13-9-18-30(39)31-19-10-14-26(4)40(31)50;1-24-11-7-16-30-31-17-8-12-25(2)39(31)47(38(24)30)36-22-34(29-15-5-6-20-35(29)42(43,44)45)37(21-28(36)23-46)48-40-26(3)13-9-18-32(40)33-19-10-14-27(4)41(33)48/h5-22H,1-4H3;5-22H,1-4H3
InChIKeyKQIBHTUDKXTGEC-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(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 with MolForge

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Related Compounds

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
1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 158794342
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
3-[2,5-bis(1-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 159791827
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
2,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386441
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386339
2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 160830906
2,5-bis(4,5-dimethylcarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-(4,5-dimethylcarbazol-9-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]-4,5-dimethylcarbazole
CID 158434242
4,5-bis(1,8-dimethylcarbazol-9-yl)-2-(2,4-dimethylphenyl)benzonitrile
CID 161289757
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
9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
CID 159679728

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2c3cccc(C)c3n(-c3cc(-c4ccccc4C(F)(F)F)c(-n4c5c(C)cccc5c5cccc(C)c54)cc3C#N)c12.Cc1cccc2c3cccc(C)c3n(-c3cc(C(F)(F)F)c(-n4c5c(C)cccc5c5cccc(C)c54)cc3-c3ccccc3C(F)(F)F)c12.
What is the InChIKey of 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?
The InChIKey is KQIBHTUDKXTGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F6N2.C42H30F3N3/c1-23-11-7-16-28-29-17-8-12-24(2)38(29)49(37(23)28)35-22-34(42(46,47)48)36(21-32(35)27-15-5-6-20-33(27)41(43,44)45)50-39-25(3)13-9-18-30(39)31-19-10-14-26(4)40(31)50;1-24-11-7-16-30-31-17-8-12-25(2)39(31)47(38(24)30)36-22-34(29-15-5-6-20-35(29)42(43,44)45)37(21-28(36)23-46)48-40-26(3)13-9-18-32(40)33-19-10-14-27(4)41(33)48/h5-22H,1-4H3;5-22H,1-4H3.
What are the key properties of 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?
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 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(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 is sourced from PubChem (CID 159209598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).