3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole

C50H38F6N2O2 — CID 134192424

IUPAC3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(C)c(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(OC)ccc32)cc1C
InChIInChI=1S/C50H38F6N2O2/c1-27-7-13-43-37(19-27)41-25-33(59-5)11-17-47(41)57(43)45-15-9-31(49(51,52)53)23-39(45)35-21-30(4)36(22-29(35)3)40-24-32(50(54,55)56)10-16-46(40)58-44-14-8-28(2)20-38(44)42-26-34(60-6)12-18-48(42)58/h7-26H,1-6H3
InChIKeyFUYMBGVOVIWLBM-UHFFFAOYSA-N
MW812.85 g/mol
LogP14.50
Rot. Bonds6

About 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole

3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole (PubChem CID 134192424) has the molecular formula C50H38F6N2O2 and a molecular weight of 812.85 g/mol. Its IUPAC name is 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole.

Molecular Properties

Compound Name3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole
PubChem CID134192424
Molecular FormulaC50H38F6N2O2
Molecular Weight812.85 g/mol
Exact Mass812.28
IUPAC Name3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(C)c(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(OC)ccc32)cc1C
InChIInChI=1S/C50H38F6N2O2/c1-27-7-13-43-37(19-27)41-25-33(59-5)11-17-47(41)57(43)45-15-9-31(49(51,52)53)23-39(45)35-21-30(4)36(22-29(35)3)40-24-32(50(54,55)56)10-16-46(40)58-44-14-8-28(2)20-38(44)42-26-34(60-6)12-18-48(42)58/h7-26H,1-6H3
InChIKeyFUYMBGVOVIWLBM-UHFFFAOYSA-N
XLogP14.50
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.85
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole?
The IUPAC name of 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole (CID 134192424) is 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole.
What is the SMILES notation for 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole?
The canonical SMILES for 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole is COc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(C)c(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(OC)ccc32)cc1C.
What is the InChIKey of 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole?
The InChIKey is FUYMBGVOVIWLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38F6N2O2/c1-27-7-13-43-37(19-27)41-25-33(59-5)11-17-47(41)57(43)45-15-9-31(49(51,52)53)23-39(45)35-21-30(4)36(22-29(35)3)40-24-32(50(54,55)56)10-16-46(40)58-44-14-8-28(2)20-38(44)42-26-34(60-6)12-18-48(42)58/h7-26H,1-6H3.
What are the key properties of 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole?
3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole has a molecular weight of 812.85 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole is sourced from PubChem (CID 134192424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).