1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole

C24H16ClF3N2 — CID 139600162

IUPAC1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole
SMILESCc1cc(-n2ccc3ccccc32)c(Cl)c(C(F)(F)F)c1-n1ccc2ccccc21
InChIInChI=1S/C24H16ClF3N2/c1-15-14-20(29-12-10-16-6-2-4-8-18(16)29)22(25)21(24(26,27)28)23(15)30-13-11-17-7-3-5-9-19(17)30/h2-14H,1H3
InChIKeyKUNHJPCZPFXUIS-UHFFFAOYSA-N
MW424.85 g/mol
LogP7.56
Rot. Bonds2

About 1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole

1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole (PubChem CID 139600162) has the molecular formula C24H16ClF3N2 and a molecular weight of 424.85 g/mol. Its IUPAC name is 1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole
PubChem CID139600162
Molecular FormulaC24H16ClF3N2
Molecular Weight424.85 g/mol
Exact Mass424.10
IUPAC Name1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole
SMILESCc1cc(-n2ccc3ccccc32)c(Cl)c(C(F)(F)F)c1-n1ccc2ccccc21
InChIInChI=1S/C24H16ClF3N2/c1-15-14-20(29-12-10-16-6-2-4-8-18(16)29)22(25)21(24(26,27)28)23(15)30-13-11-17-7-3-5-9-19(17)30/h2-14H,1H3
InChIKeyKUNHJPCZPFXUIS-UHFFFAOYSA-N
XLogP7.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.85
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole (CID 139600162) is 1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole is Cc1cc(-n2ccc3ccccc32)c(Cl)c(C(F)(F)F)c1-n1ccc2ccccc21.
What is the InChIKey of 1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole?
The InChIKey is KUNHJPCZPFXUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N2/c1-15-14-20(29-12-10-16-6-2-4-8-18(16)29)22(25)21(24(26,27)28)23(15)30-13-11-17-7-3-5-9-19(17)30/h2-14H,1H3.
What are the key properties of 1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole?
1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole has a molecular weight of 424.85 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-indol-1-yl-5-methyl-3-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 139600162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).