1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole

C32H22F6N2 — CID 56851723

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole
SMILESFC(F)(F)c1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5C(F)(F)F)c4c3)cc21
InChIInChI=1S/C32H22F6N2/c33-31(34,35)27-7-3-1-5-25(27)19-39-15-13-21-9-11-23(17-29(21)39)24-12-10-22-14-16-40(30(22)18-24)20-26-6-2-4-8-28(26)32(36,37)38/h1-18H,19-20H2
InChIKeyDIXPRDGCWIAOJX-UHFFFAOYSA-N
MW548.53 g/mol
LogP9.40
Rot. Bonds5

About 1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole

1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole (PubChem CID 56851723) has the molecular formula C32H22F6N2 and a molecular weight of 548.53 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole
PubChem CID56851723
Molecular FormulaC32H22F6N2
Molecular Weight548.53 g/mol
Exact Mass548.17
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole
SMILESFC(F)(F)c1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5C(F)(F)F)c4c3)cc21
InChIInChI=1S/C32H22F6N2/c33-31(34,35)27-7-3-1-5-25(27)19-39-15-13-21-9-11-23(17-29(21)39)24-12-10-22-14-16-40(30(22)18-24)20-26-6-2-4-8-28(26)32(36,37)38/h1-18H,19-20H2
InChIKeyDIXPRDGCWIAOJX-UHFFFAOYSA-N
XLogP9.40
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.53
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole (CID 56851723) is 1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole is FC(F)(F)c1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5C(F)(F)F)c4c3)cc21.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
The InChIKey is DIXPRDGCWIAOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F6N2/c33-31(34,35)27-7-3-1-5-25(27)19-39-15-13-21-9-11-23(17-29(21)39)24-12-10-22-14-16-40(30(22)18-24)20-26-6-2-4-8-28(26)32(36,37)38/h1-18H,19-20H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole has a molecular weight of 548.53 g/mol, XLogP of 9.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole is sourced from PubChem (CID 56851723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).