9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole

C121H92F6N6 — CID 159392175

IUPAC9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C)c(-c2cc(F)cc(F)c2)cc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1cc(C)c(-c2cc(F)cc(F)c2)cc1-n1c2ccccc2c2cc(C)ccc21.Cc1ccc2c3ccc(C)cc3n(-c3cc(C)c(-c4cc(F)cc(F)c4)cc3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1
InChIInChI=1S/2C41H32F2N2.C39H28F2N2/c1-23-6-10-36-32(14-23)33-15-24(2)7-11-37(33)44(36)40-18-27(5)31(28-19-29(42)21-30(43)20-28)22-41(40)45-38-12-8-25(3)16-34(38)35-17-26(4)9-13-39(35)45;1-23-6-10-31-32-11-7-24(2)15-37(32)44(36(31)14-23)40-18-27(5)35(28-19-29(42)21-30(43)20-28)22-41(40)45-38-16-25(3)8-12-33(38)34-13-9-26(4)17-39(34)45;1-23-12-14-36-32(16-23)29-8-4-6-10-34(29)42(36)38-18-25(3)31(26-19-27(40)21-28(41)20-26)22-39(38)43-35-11-7-5-9-30(35)33-17-24(2)13-15-37(33)43/h2*6-22H,1-5H3;4-22H,1-3H3
InChIKeyLMGJJRYKWZBWMV-UHFFFAOYSA-N
MW1744.10 g/mol
LogP33.49
Rot. Bonds9

About 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole

9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole (PubChem CID 159392175) has the molecular formula C121H92F6N6 and a molecular weight of 1744.10 g/mol. Its IUPAC name is 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole
PubChem CID159392175
Molecular FormulaC121H92F6N6
Molecular Weight1744.10 g/mol
Exact Mass1742.73
IUPAC Name9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C)c(-c2cc(F)cc(F)c2)cc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1cc(C)c(-c2cc(F)cc(F)c2)cc1-n1c2ccccc2c2cc(C)ccc21.Cc1ccc2c3ccc(C)cc3n(-c3cc(C)c(-c4cc(F)cc(F)c4)cc3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1
InChIInChI=1S/2C41H32F2N2.C39H28F2N2/c1-23-6-10-36-32(14-23)33-15-24(2)7-11-37(33)44(36)40-18-27(5)31(28-19-29(42)21-30(43)20-28)22-41(40)45-38-12-8-25(3)16-34(38)35-17-26(4)9-13-39(35)45;1-23-6-10-31-32-11-7-24(2)15-37(32)44(36(31)14-23)40-18-27(5)35(28-19-29(42)21-30(43)20-28)22-41(40)45-38-16-25(3)8-12-33(38)34-13-9-26(4)17-39(34)45;1-23-12-14-36-32(16-23)29-8-4-6-10-34(29)42(36)38-18-25(3)31(26-19-27(40)21-28(41)20-26)22-39(38)43-35-11-7-5-9-30(35)33-17-24(2)13-15-37(33)43/h2*6-22H,1-5H3;4-22H,1-3H3
InChIKeyLMGJJRYKWZBWMV-UHFFFAOYSA-N
XLogP33.49
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001744.10
LogP ≤ 533.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole with MolForge

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Related Compounds

3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
9-(4-fluorophenyl)-2-methylcarbazole
CID 148964710
2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 134292728
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 142489544
9-(2,4-dimethylphenyl)-2-[9-(2,4-dimethylphenyl)carbazol-2-yl]carbazole
CID 59935132
9-(4-methyl-2,5-diphenylphenyl)carbazole
CID 167659525
9-[2-(3,5-difluorophenyl)-4-(2,7-diphenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,7-diphenylcarbazole;9-[2-(3,5-difluorophenyl)-4-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 158702120
3-[4,5-bis(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]benzonitrile
CID 158960856
9-(2-chlorophenyl)-2,6-dimethylcarbazole
CID 177425855

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole?
The IUPAC name of 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole (CID 159392175) is 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C)c(-c2cc(F)cc(F)c2)cc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1cc(C)c(-c2cc(F)cc(F)c2)cc1-n1c2ccccc2c2cc(C)ccc21.Cc1ccc2c3ccc(C)cc3n(-c3cc(C)c(-c4cc(F)cc(F)c4)cc3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1.
What is the InChIKey of 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole?
The InChIKey is LMGJJRYKWZBWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H32F2N2.C39H28F2N2/c1-23-6-10-36-32(14-23)33-15-24(2)7-11-37(33)44(36)40-18-27(5)31(28-19-29(42)21-30(43)20-28)22-41(40)45-38-12-8-25(3)16-34(38)35-17-26(4)9-13-39(35)45;1-23-6-10-31-32-11-7-24(2)15-37(32)44(36(31)14-23)40-18-27(5)35(28-19-29(42)21-30(43)20-28)22-41(40)45-38-16-25(3)8-12-33(38)34-13-9-26(4)17-39(34)45;1-23-12-14-36-32(16-23)29-8-4-6-10-34(29)42(36)38-18-25(3)31(26-19-27(40)21-28(41)20-26)22-39(38)43-35-11-7-5-9-30(35)33-17-24(2)13-15-37(33)43/h2*6-22H,1-5H3;4-22H,1-3H3.
What are the key properties of 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole?
9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole has a molecular weight of 1744.10 g/mol, XLogP of 33.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,5-difluorophenyl)-2-(2,7-dimethylcarbazol-9-yl)-5-methylphenyl]-2,7-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-2-(3,6-dimethylcarbazol-9-yl)-5-methylphenyl]-3,6-dimethylcarbazole;9-[4-(3,5-difluorophenyl)-5-methyl-2-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole is sourced from PubChem (CID 159392175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).