1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone

C24H18N2O2 — CID 5330536

IUPAC1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C24H18N2O2/c27-24(22-13-17-8-4-5-9-20(17)25-22)23-14-18-12-19(10-11-21(18)26-23)28-15-16-6-2-1-3-7-16/h1-14,25-26H,15H2
InChIKeyXOXXUQMBOKKTMI-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.46
Rot. Bonds5

About 1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone

1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone (PubChem CID 5330536) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone
PubChem CID5330536
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C24H18N2O2/c27-24(22-13-17-8-4-5-9-20(17)25-22)23-14-18-12-19(10-11-21(18)26-23)28-15-16-6-2-1-3-7-16/h1-14,25-26H,15H2
InChIKeyXOXXUQMBOKKTMI-UHFFFAOYSA-N
XLogP5.46
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The IUPAC name of 1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone (CID 5330536) is 1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for 1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of 1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The InChIKey is XOXXUQMBOKKTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-24(22-13-17-8-4-5-9-20(17)25-22)23-14-18-12-19(10-11-21(18)26-23)28-15-16-6-2-1-3-7-16/h1-14,25-26H,15H2.
What are the key properties of 1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone?
1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone has a molecular weight of 366.42 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(5-phenylmethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 5330536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).