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

C82H56F9N5 — CID 161271850

IUPAC2,5-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
SMILESCc1ccc2c3ccccc3n(-c3cc(-c4c(C)cccc4C(F)(F)F)c(-n4c5ccccc5c5ccc(C)cc54)cc3C#N)c2c1.Cc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)c(-n4c5ccccc5c5ccc(C)cc54)cc3-c3c(C)cccc3C(F)(F)F)c2c1
InChIInChI=1S/C41H28F6N2.C41H28F3N3/c1-23-15-17-28-26-10-4-6-13-33(26)48(35(28)19-23)37-22-32(41(45,46)47)38(21-30(37)39-25(3)9-8-12-31(39)40(42,43)44)49-34-14-7-5-11-27(34)29-18-16-24(2)20-36(29)49;1-24-15-17-30-28-10-4-6-13-34(28)46(37(30)19-24)36-22-32(40-26(3)9-8-12-33(40)41(42,43)44)39(21-27(36)23-45)47-35-14-7-5-11-29(35)31-18-16-25(2)20-38(31)47/h4-22H,1-3H3;4-22H,1-3H3
InChIKeyVDXRKXMFRZMKSO-UHFFFAOYSA-N
MW1282.37 g/mol
LogP23.87
Rot. Bonds6

About 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

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 (PubChem CID 161271850) has the molecular formula C82H56F9N5 and a molecular weight of 1282.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID161271850
Molecular FormulaC82H56F9N5
Molecular Weight1282.37 g/mol
Exact Mass1281.44
IUPAC Name2,5-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
SMILESCc1ccc2c3ccccc3n(-c3cc(-c4c(C)cccc4C(F)(F)F)c(-n4c5ccccc5c5ccc(C)cc54)cc3C#N)c2c1.Cc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)c(-n4c5ccccc5c5ccc(C)cc54)cc3-c3c(C)cccc3C(F)(F)F)c2c1
InChIInChI=1S/C41H28F6N2.C41H28F3N3/c1-23-15-17-28-26-10-4-6-13-33(26)48(35(28)19-23)37-22-32(41(45,46)47)38(21-30(37)39-25(3)9-8-12-31(39)40(42,43)44)49-34-14-7-5-11-27(34)29-18-16-24(2)20-36(29)49;1-24-15-17-30-28-10-4-6-13-34(28)46(37(30)19-24)36-22-32(40-26(3)9-8-12-33(40)41(42,43)44)39(21-27(36)23-45)47-35-14-7-5-11-29(35)31-18-16-25(2)20-38(31)47/h4-22H,1-3H3;4-22H,1-3H3
InChIKeyVDXRKXMFRZMKSO-UHFFFAOYSA-N
XLogP23.87
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001282.37
LogP ≤ 523.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

4,5-bis(2-tert-butylcarbazol-9-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 159441695
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-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 161455760
4-[2,4-bis(trifluoromethyl)phenyl]-2,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 138567394
2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 160830906
2-[3-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 157125890
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
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
2,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137392860
2,5-bis(2-methylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295588
9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
CID 159679728
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c3ccccc3n(-c3cc(-c4c(C)cccc4C(F)(F)F)c(-n4c5ccccc5c5ccc(C)cc54)cc3C#N)c2c1.Cc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)c(-n4c5ccccc5c5ccc(C)cc54)cc3-c3c(C)cccc3C(F)(F)F)c2c1.
What is the InChIKey of 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?
The InChIKey is VDXRKXMFRZMKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28F6N2.C41H28F3N3/c1-23-15-17-28-26-10-4-6-13-33(26)48(35(28)19-23)37-22-32(41(45,46)47)38(21-30(37)39-25(3)9-8-12-31(39)40(42,43)44)49-34-14-7-5-11-27(34)29-18-16-24(2)20-36(29)49;1-24-15-17-30-28-10-4-6-13-34(28)46(37(30)19-24)36-22-32(40-26(3)9-8-12-33(40)41(42,43)44)39(21-27(36)23-45)47-35-14-7-5-11-29(35)31-18-16-25(2)20-38(31)47/h4-22H,1-3H3;4-22H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1282.37 g/mol, XLogP of 23.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161271850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).