2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole

C32H21F3N2S2 — CID 162621008

IUPAC2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole
SMILESFC(F)(F)C(c1cc(-c2ccsc2)c(-c2c(-c3ccccc3)[nH]c3ccccc23)s1)c1c[nH]c2ccccc12
InChIInChI=1S/C32H21F3N2S2/c33-32(34,35)29(24-17-36-25-12-6-4-10-21(24)25)27-16-23(20-14-15-38-18-20)31(39-27)28-22-11-5-7-13-26(22)37-30(28)19-8-2-1-3-9-19/h1-18,29,36-37H
InChIKeyILBVNIXHUMVXAX-UHFFFAOYSA-N
MW554.66 g/mol
LogP10.47
Rot. Bonds5

About 2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole

2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole (PubChem CID 162621008) has the molecular formula C32H21F3N2S2 and a molecular weight of 554.66 g/mol. Its IUPAC name is 2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole.

Molecular Properties

Compound Name2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole
PubChem CID162621008
Molecular FormulaC32H21F3N2S2
Molecular Weight554.66 g/mol
Exact Mass554.11
IUPAC Name2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole
SMILESFC(F)(F)C(c1cc(-c2ccsc2)c(-c2c(-c3ccccc3)[nH]c3ccccc23)s1)c1c[nH]c2ccccc12
InChIInChI=1S/C32H21F3N2S2/c33-32(34,35)29(24-17-36-25-12-6-4-10-21(24)25)27-16-23(20-14-15-38-18-20)31(39-27)28-22-11-5-7-13-26(22)37-30(28)19-8-2-1-3-9-19/h1-18,29,36-37H
InChIKeyILBVNIXHUMVXAX-UHFFFAOYSA-N
XLogP10.47
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.66
LogP ≤ 510.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole?
The IUPAC name of 2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole (CID 162621008) is 2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole.
What is the SMILES notation for 2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole?
The canonical SMILES for 2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole is FC(F)(F)C(c1cc(-c2ccsc2)c(-c2c(-c3ccccc3)[nH]c3ccccc23)s1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole?
The InChIKey is ILBVNIXHUMVXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21F3N2S2/c33-32(34,35)29(24-17-36-25-12-6-4-10-21(24)25)27-16-23(20-14-15-38-18-20)31(39-27)28-22-11-5-7-13-26(22)37-30(28)19-8-2-1-3-9-19/h1-18,29,36-37H.
What are the key properties of 2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole?
2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole has a molecular weight of 554.66 g/mol, XLogP of 10.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole is sourced from PubChem (CID 162621008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).