1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone

C23H16N2O — CID 42635150

IUPAC1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2cc3ccccc3[nH]2)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H16N2O/c26-23(22-14-17-7-2-4-11-20(17)25-22)18-9-5-8-15(12-18)21-13-16-6-1-3-10-19(16)24-21/h1-14,24-25H
InChIKeyGRLFYBDTSHDAHS-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.55
Rot. Bonds3

About 1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone

1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone (PubChem CID 42635150) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone
PubChem CID42635150
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2cc3ccccc3[nH]2)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H16N2O/c26-23(22-14-17-7-2-4-11-20(17)25-22)18-9-5-8-15(12-18)21-13-16-6-1-3-10-19(16)24-21/h1-14,24-25H
InChIKeyGRLFYBDTSHDAHS-UHFFFAOYSA-N
XLogP5.55
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone?
The IUPAC name of 1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone (CID 42635150) is 1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone?
The canonical SMILES for 1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone is O=C(c1cccc(-c2cc3ccccc3[nH]2)c1)c1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone?
The InChIKey is GRLFYBDTSHDAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c26-23(22-14-17-7-2-4-11-20(17)25-22)18-9-5-8-15(12-18)21-13-16-6-1-3-10-19(16)24-21/h1-14,24-25H.
What are the key properties of 1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone?
1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone has a molecular weight of 336.39 g/mol, XLogP of 5.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[3-(1H-indol-2-yl)phenyl]methanone is sourced from PubChem (CID 42635150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).