1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone

C25H20N2O2 — CID 5330544

IUPAC1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone
SMILESCC(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1ccccc1
InChIInChI=1S/C25H20N2O2/c1-16(17-7-3-2-4-8-17)29-20-11-12-22-19(13-20)15-24(27-22)25(28)23-14-18-9-5-6-10-21(18)26-23/h2-16,26-27H,1H3
InChIKeyNXOCWMYXQVFEBS-UHFFFAOYSA-N
MW380.45 g/mol
LogP6.02
Rot. Bonds5

About 1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone

1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone (PubChem CID 5330544) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone
PubChem CID5330544
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone
SMILESCC(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1ccccc1
InChIInChI=1S/C25H20N2O2/c1-16(17-7-3-2-4-8-17)29-20-11-12-22-19(13-20)15-24(27-22)25(28)23-14-18-9-5-6-10-21(18)26-23/h2-16,26-27H,1H3
InChIKeyNXOCWMYXQVFEBS-UHFFFAOYSA-N
XLogP6.02
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 56.02
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-(1-phenylethoxy)-1H-indol-2-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone (CID 5330544) is 1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone is CC(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1ccccc1.
What is the InChIKey of 1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone?
The InChIKey is NXOCWMYXQVFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-16(17-7-3-2-4-8-17)29-20-11-12-22-19(13-20)15-24(27-22)25(28)23-14-18-9-5-6-10-21(18)26-23/h2-16,26-27H,1H3.
What are the key properties of 1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone?
1H-indol-2-yl-[5-(1-phenylethoxy)-1H-indol-2-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 6.02, 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-(1-phenylethoxy)-1H-indol-2-yl]methanone is sourced from PubChem (CID 5330544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).