1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole

C24H16ClF3N2 — CID 139600155

IUPAC1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole
SMILESFC(F)(F)c1cc(C(n2ccc3ccccc32)n2ccc3ccccc32)ccc1Cl
InChIInChI=1S/C24H16ClF3N2/c25-20-10-9-18(15-19(20)24(26,27)28)23(29-13-11-16-5-1-3-7-21(16)29)30-14-12-17-6-2-4-8-22(17)30/h1-15,23H
InChIKeyILGAFQLVGSBCNP-UHFFFAOYSA-N
MW424.85 g/mol
LogP7.36
Rot. Bonds3

About 1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole

1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole (PubChem CID 139600155) has the molecular formula C24H16ClF3N2 and a molecular weight of 424.85 g/mol. Its IUPAC name is 1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole.

Molecular Properties

Compound Name1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole
PubChem CID139600155
Molecular FormulaC24H16ClF3N2
Molecular Weight424.85 g/mol
Exact Mass424.10
IUPAC Name1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole
SMILESFC(F)(F)c1cc(C(n2ccc3ccccc32)n2ccc3ccccc32)ccc1Cl
InChIInChI=1S/C24H16ClF3N2/c25-20-10-9-18(15-19(20)24(26,27)28)23(29-13-11-16-5-1-3-7-21(16)29)30-14-12-17-6-2-4-8-22(17)30/h1-15,23H
InChIKeyILGAFQLVGSBCNP-UHFFFAOYSA-N
XLogP7.36
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.85
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole?
The IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole (CID 139600155) is 1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole.
What is the SMILES notation for 1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole?
The canonical SMILES for 1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole is FC(F)(F)c1cc(C(n2ccc3ccccc32)n2ccc3ccccc32)ccc1Cl.
What is the InChIKey of 1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole?
The InChIKey is ILGAFQLVGSBCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N2/c25-20-10-9-18(15-19(20)24(26,27)28)23(29-13-11-16-5-1-3-7-21(16)29)30-14-12-17-6-2-4-8-22(17)30/h1-15,23H.
What are the key properties of 1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole?
1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole has a molecular weight of 424.85 g/mol, XLogP of 7.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-3-(trifluoromethyl)phenyl]-indol-1-ylmethyl]indole is sourced from PubChem (CID 139600155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).