2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole

C23H18F3NO2 — CID 71361225

IUPAC2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole
SMILESCOc1ccc(-c2[nH]c3cc(C(F)(F)F)ccc3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H18F3NO2/c1-28-17-8-3-14(4-9-17)21-19-12-7-16(23(24,25)26)13-20(19)27-22(21)15-5-10-18(29-2)11-6-15/h3-13,27H,1-2H3
InChIKeyKCIDAPPKPNFICP-UHFFFAOYSA-N
MW397.40 g/mol
LogP6.54
Rot. Bonds4

About 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole

2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole (PubChem CID 71361225) has the molecular formula C23H18F3NO2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole
PubChem CID71361225
Molecular FormulaC23H18F3NO2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole
SMILESCOc1ccc(-c2[nH]c3cc(C(F)(F)F)ccc3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H18F3NO2/c1-28-17-8-3-14(4-9-17)21-19-12-7-16(23(24,25)26)13-20(19)27-22(21)15-5-10-18(29-2)11-6-15/h3-13,27H,1-2H3
InChIKeyKCIDAPPKPNFICP-UHFFFAOYSA-N
XLogP6.54
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.40
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole?
The IUPAC name of 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole (CID 71361225) is 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole is COc1ccc(-c2[nH]c3cc(C(F)(F)F)ccc3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole?
The InChIKey is KCIDAPPKPNFICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO2/c1-28-17-8-3-14(4-9-17)21-19-12-7-16(23(24,25)26)13-20(19)27-22(21)15-5-10-18(29-2)11-6-15/h3-13,27H,1-2H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole?
2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole has a molecular weight of 397.40 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 71361225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).