3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole

C25H19NO2 — CID 140896426

IUPAC3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole
SMILESCOc1cccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c12
InChIInChI=1S/C25H19NO2/c1-27-22-14-8-13-21-24(22)20(16-26-21)19-15-23(17-9-4-2-5-10-17)28-25(19)18-11-6-3-7-12-18/h2-16,26H,1H3
InChIKeyYEIMVHHFMFOHPQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP6.77
Rot. Bonds4

About 3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole

3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole (PubChem CID 140896426) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole.

Molecular Properties

Compound Name3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole
PubChem CID140896426
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole
SMILESCOc1cccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c12
InChIInChI=1S/C25H19NO2/c1-27-22-14-8-13-21-24(22)20(16-26-21)19-15-23(17-9-4-2-5-10-17)28-25(19)18-11-6-3-7-12-18/h2-16,26H,1H3
InChIKeyYEIMVHHFMFOHPQ-UHFFFAOYSA-N
XLogP6.77
TPSA38.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole?
The IUPAC name of 3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole (CID 140896426) is 3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole.
What is the SMILES notation for 3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole?
The canonical SMILES for 3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole is COc1cccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c12.
What is the InChIKey of 3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole?
The InChIKey is YEIMVHHFMFOHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2/c1-27-22-14-8-13-21-24(22)20(16-26-21)19-15-23(17-9-4-2-5-10-17)28-25(19)18-11-6-3-7-12-18/h2-16,26H,1H3.
What are the key properties of 3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole?
3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole has a molecular weight of 365.43 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diphenylfuran-3-yl)-4-methoxy-1H-indole is sourced from PubChem (CID 140896426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).