1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole

C32H22F6N2O2 — CID 56851718

IUPAC1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole
SMILESFC(F)(F)Oc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(OC(F)(F)F)cc6)c5c4)cc32)cc1
InChIInChI=1S/C32H22F6N2O2/c33-31(34,35)41-27-9-1-21(2-10-27)19-39-15-13-23-5-7-25(17-29(23)39)26-8-6-24-14-16-40(30(24)18-26)20-22-3-11-28(12-4-22)42-32(36,37)38/h1-18H,19-20H2
InChIKeyOPSXRIXFCWOQEX-UHFFFAOYSA-N
MW580.53 g/mol
LogP9.16
Rot. Bonds7

About 1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole

1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole (PubChem CID 56851718) has the molecular formula C32H22F6N2O2 and a molecular weight of 580.53 g/mol. Its IUPAC name is 1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole
PubChem CID56851718
Molecular FormulaC32H22F6N2O2
Molecular Weight580.53 g/mol
Exact Mass580.16
IUPAC Name1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole
SMILESFC(F)(F)Oc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(OC(F)(F)F)cc6)c5c4)cc32)cc1
InChIInChI=1S/C32H22F6N2O2/c33-31(34,35)41-27-9-1-21(2-10-27)19-39-15-13-23-5-7-25(17-29(23)39)26-8-6-24-14-16-40(30(24)18-26)20-22-3-11-28(12-4-22)42-32(36,37)38/h1-18H,19-20H2
InChIKeyOPSXRIXFCWOQEX-UHFFFAOYSA-N
XLogP9.16
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.53
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole?
The IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole (CID 56851718) is 1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole.
What is the SMILES notation for 1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole?
The canonical SMILES for 1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole is FC(F)(F)Oc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(OC(F)(F)F)cc6)c5c4)cc32)cc1.
What is the InChIKey of 1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole?
The InChIKey is OPSXRIXFCWOQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F6N2O2/c33-31(34,35)41-27-9-1-21(2-10-27)19-39-15-13-23-5-7-25(17-29(23)39)26-8-6-24-14-16-40(30(24)18-26)20-22-3-11-28(12-4-22)42-32(36,37)38/h1-18H,19-20H2.
What are the key properties of 1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole?
1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole has a molecular weight of 580.53 g/mol, XLogP of 9.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole is sourced from PubChem (CID 56851718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).