9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole

C42H33F3N2O4 — CID 134192408

IUPAC9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C)cc1-c1cc(C(F)(F)F)ccc1-n1c2ccc(OC)cc2c2cc(OC)ccc21
InChIInChI=1S/C42H33F3N2O4/c1-24-6-12-36(46-38-14-8-26(48-2)20-32(38)33-21-27(49-3)9-15-39(33)46)30(18-24)31-19-25(42(43,44)45)7-13-37(31)47-40-16-10-28(50-4)22-34(40)35-23-29(51-5)11-17-41(35)47/h6-23H,1-5H3
InChIKeyVKASZJKSRMWGKF-UHFFFAOYSA-N
MW686.73 g/mol
LogP10.91
Rot. Bonds7

About 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole

9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole (PubChem CID 134192408) has the molecular formula C42H33F3N2O4 and a molecular weight of 686.73 g/mol. Its IUPAC name is 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole.

Molecular Properties

Compound Name9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
PubChem CID134192408
Molecular FormulaC42H33F3N2O4
Molecular Weight686.73 g/mol
Exact Mass686.24
IUPAC Name9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C)cc1-c1cc(C(F)(F)F)ccc1-n1c2ccc(OC)cc2c2cc(OC)ccc21
InChIInChI=1S/C42H33F3N2O4/c1-24-6-12-36(46-38-14-8-26(48-2)20-32(38)33-21-27(49-3)9-15-39(33)46)30(18-24)31-19-25(42(43,44)45)7-13-37(31)47-40-16-10-28(50-4)22-34(40)35-23-29(51-5)11-17-41(35)47/h6-23H,1-5H3
InChIKeyVKASZJKSRMWGKF-UHFFFAOYSA-N
XLogP10.91
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.73
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole 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 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole (CID 134192408) is 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C)cc1-c1cc(C(F)(F)F)ccc1-n1c2ccc(OC)cc2c2cc(OC)ccc21.
What is the InChIKey of 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
The InChIKey is VKASZJKSRMWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33F3N2O4/c1-24-6-12-36(46-38-14-8-26(48-2)20-32(38)33-21-27(49-3)9-15-39(33)46)30(18-24)31-19-25(42(43,44)45)7-13-37(31)47-40-16-10-28(50-4)22-34(40)35-23-29(51-5)11-17-41(35)47/h6-23H,1-5H3.
What are the key properties of 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole has a molecular weight of 686.73 g/mol, XLogP of 10.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(3,6-dimethoxycarbazol-9-yl)-5-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 134192408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).