3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one

C30H20N2O2 — CID 13284375

IUPAC3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one
SMILESO=C1OC(c2c[nH]c3ccccc23)(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C30H20N2O2/c33-29-21-13-4-7-15-23(21)30(34-29,24-18-31-25-16-8-5-12-20(24)25)27-22-14-6-9-17-26(22)32-28(27)19-10-2-1-3-11-19/h1-18,31-32H
InChIKeyKLCJBHYKVYCBGY-UHFFFAOYSA-N
MW440.50 g/mol
LogP6.78
Rot. Bonds3

About 3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one

3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one (PubChem CID 13284375) has the molecular formula C30H20N2O2 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one
PubChem CID13284375
Molecular FormulaC30H20N2O2
Molecular Weight440.50 g/mol
Exact Mass440.15
IUPAC Name3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one
SMILESO=C1OC(c2c[nH]c3ccccc23)(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C30H20N2O2/c33-29-21-13-4-7-15-23(21)30(34-29,24-18-31-25-16-8-5-12-20(24)25)27-22-14-6-9-17-26(22)32-28(27)19-10-2-1-3-11-19/h1-18,31-32H
InChIKeyKLCJBHYKVYCBGY-UHFFFAOYSA-N
XLogP6.78
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one (CID 13284375) is 3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one is O=C1OC(c2c[nH]c3ccccc23)(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of 3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one?
The InChIKey is KLCJBHYKVYCBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O2/c33-29-21-13-4-7-15-23(21)30(34-29,24-18-31-25-16-8-5-12-20(24)25)27-22-14-6-9-17-26(22)32-28(27)19-10-2-1-3-11-19/h1-18,31-32H.
What are the key properties of 3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one?
3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one has a molecular weight of 440.50 g/mol, XLogP of 6.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one is sourced from PubChem (CID 13284375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).