9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole

C39H28F2N2 — CID 158882715

IUPAC9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c(F)cccc2F)c(-n2c3ccccc3c3cc(C)ccc32)c1C
InChIInChI=1S/C39H28F2N2/c1-23-15-18-36-29(21-23)26-9-4-6-13-34(26)42(36)33-20-17-28(38-31(40)11-8-12-32(38)41)39(25(33)3)43-35-14-7-5-10-27(35)30-22-24(2)16-19-37(30)43/h4-22H,1-3H3
InChIKeyWVFRJRQNNSPQEU-UHFFFAOYSA-N
MW562.66 g/mol
LogP10.75
Rot. Bonds3

About 9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole

9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole (PubChem CID 158882715) has the molecular formula C39H28F2N2 and a molecular weight of 562.66 g/mol. Its IUPAC name is 9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole
PubChem CID158882715
Molecular FormulaC39H28F2N2
Molecular Weight562.66 g/mol
Exact Mass562.22
IUPAC Name9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c(F)cccc2F)c(-n2c3ccccc3c3cc(C)ccc32)c1C
InChIInChI=1S/C39H28F2N2/c1-23-15-18-36-29(21-23)26-9-4-6-13-34(26)42(36)33-20-17-28(38-31(40)11-8-12-32(38)41)39(25(33)3)43-35-14-7-5-10-27(35)30-22-24(2)16-19-37(30)43/h4-22H,1-3H3
InChIKeyWVFRJRQNNSPQEU-UHFFFAOYSA-N
XLogP10.75
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.66
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-9-[3-(2-tert-butylcarbazol-9-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]carbazole
CID 158882718
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
2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole
CID 162161860
9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 147018720
9-(2,3-difluorophenyl)-3,6-dimethylcarbazole
CID 122431603
3-(2,6-difluorophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 154959875
9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole
CID 139552881
2-fluoro-9-(2-fluorophenyl)-3,6-dimethylcarbazole
CID 146656306
9-[4-(3,5-difluorophenyl)-2-methyl-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole
CID 159302244
9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 122431595

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole?
The IUPAC name of 9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole (CID 158882715) is 9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c(F)cccc2F)c(-n2c3ccccc3c3cc(C)ccc32)c1C.
What is the InChIKey of 9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole?
The InChIKey is WVFRJRQNNSPQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28F2N2/c1-23-15-18-36-29(21-23)26-9-4-6-13-34(26)42(36)33-20-17-28(38-31(40)11-8-12-32(38)41)39(25(33)3)43-35-14-7-5-10-27(35)30-22-24(2)16-19-37(30)43/h4-22H,1-3H3.
What are the key properties of 9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole?
9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole has a molecular weight of 562.66 g/mol, XLogP of 10.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole is sourced from PubChem (CID 158882715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).