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

C48H34F6N2O4 — CID 135136099

IUPAC9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1cc(-c2ccc(C(F)(F)F)cc2)c(-n2c3ccc(OC)cc3c3cc(OC)ccc32)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C48H34F6N2O4/c1-57-31-13-17-41-37(21-31)38-22-32(58-2)14-18-42(38)55(41)45-25-36(28-7-11-30(12-8-28)48(52,53)54)46(26-35(45)27-5-9-29(10-6-27)47(49,50)51)56-43-19-15-33(59-3)23-39(43)40-24-34(60-4)16-20-44(40)56/h5-26H,1-4H3
InChIKeyADHMFBQUADZUQH-UHFFFAOYSA-N
MW816.80 g/mol
LogP13.29
Rot. Bonds8

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

9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole (PubChem CID 135136099) has the molecular formula C48H34F6N2O4 and a molecular weight of 816.80 g/mol. Its IUPAC name is 9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole.

Molecular Properties

Compound Name9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole
PubChem CID135136099
Molecular FormulaC48H34F6N2O4
Molecular Weight816.80 g/mol
Exact Mass816.24
IUPAC Name9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1cc(-c2ccc(C(F)(F)F)cc2)c(-n2c3ccc(OC)cc3c3cc(OC)ccc32)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C48H34F6N2O4/c1-57-31-13-17-41-37(21-31)38-22-32(58-2)14-18-42(38)55(41)45-25-36(28-7-11-30(12-8-28)48(52,53)54)46(26-35(45)27-5-9-29(10-6-27)47(49,50)51)56-43-19-15-33(59-3)23-39(43)40-24-34(60-4)16-20-44(40)56/h5-26H,1-4H3
InChIKeyADHMFBQUADZUQH-UHFFFAOYSA-N
XLogP13.29
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.80
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]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-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole (CID 135136099) is 9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1cc(-c2ccc(C(F)(F)F)cc2)c(-n2c3ccc(OC)cc3c3cc(OC)ccc32)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole?
The InChIKey is ADHMFBQUADZUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34F6N2O4/c1-57-31-13-17-41-37(21-31)38-22-32(58-2)14-18-42(38)55(41)45-25-36(28-7-11-30(12-8-28)48(52,53)54)46(26-35(45)27-5-9-29(10-6-27)47(49,50)51)56-43-19-15-33(59-3)23-39(43)40-24-34(60-4)16-20-44(40)56/h5-26H,1-4H3.
What are the key properties of 9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole?
9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole has a molecular weight of 816.80 g/mol, XLogP of 13.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,6-dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 135136099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).