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

C29H18F9NO2 — CID 122431325

IUPAC9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H18F9NO2/c1-40-19-4-7-25-22(13-19)23-14-20(41-2)5-8-26(23)39(25)24-6-3-16(27(30,31)32)12-21(24)15-9-17(28(33,34)35)11-18(10-15)29(36,37)38/h3-14H,1-2H3
InChIKeyMFYQCNXMVAIHTF-UHFFFAOYSA-N
MW583.45 g/mol
LogP9.52
Rot. Bonds4

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

9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole (PubChem CID 122431325) has the molecular formula C29H18F9NO2 and a molecular weight of 583.45 g/mol. Its IUPAC name is 9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole.

Molecular Properties

Compound Name9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
PubChem CID122431325
Molecular FormulaC29H18F9NO2
Molecular Weight583.45 g/mol
Exact Mass583.12
IUPAC Name9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H18F9NO2/c1-40-19-4-7-25-22(13-19)23-14-20(41-2)5-8-26(23)39(25)24-6-3-16(27(30,31)32)12-21(24)15-9-17(28(33,34)35)11-18(10-15)29(36,37)38/h3-14H,1-2H3
InChIKeyMFYQCNXMVAIHTF-UHFFFAOYSA-N
XLogP9.52
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.45
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[2-[3,5-bis(trifluoromethyl)phenyl]-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-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole (CID 122431325) is 9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
The InChIKey is MFYQCNXMVAIHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F9NO2/c1-40-19-4-7-25-22(13-19)23-14-20(41-2)5-8-26(23)39(25)24-6-3-16(27(30,31)32)12-21(24)15-9-17(28(33,34)35)11-18(10-15)29(36,37)38/h3-14H,1-2H3.
What are the key properties of 9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole has a molecular weight of 583.45 g/mol, XLogP of 9.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 122431325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).