3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole

C26H21NO — CID 140896412

IUPAC3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole
SMILESCc1c(-c2cc(-c3ccccc3)oc2-c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C26H21NO/c1-18-25(21-15-9-10-16-23(21)27(18)2)22-17-24(19-11-5-3-6-12-19)28-26(22)20-13-7-4-8-14-20/h3-17H,1-2H3
InChIKeyHCYZXZMDWXUKMU-UHFFFAOYSA-N
MW363.46 g/mol
LogP7.08
Rot. Bonds3

About 3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole

3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole (PubChem CID 140896412) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole.

Molecular Properties

Compound Name3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole
PubChem CID140896412
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC Name3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole
SMILESCc1c(-c2cc(-c3ccccc3)oc2-c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C26H21NO/c1-18-25(21-15-9-10-16-23(21)27(18)2)22-17-24(19-11-5-3-6-12-19)28-26(22)20-13-7-4-8-14-20/h3-17H,1-2H3
InChIKeyHCYZXZMDWXUKMU-UHFFFAOYSA-N
XLogP7.08
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole?
The IUPAC name of 3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole (CID 140896412) is 3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole.
What is the SMILES notation for 3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole?
The canonical SMILES for 3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole is Cc1c(-c2cc(-c3ccccc3)oc2-c2ccccc2)c2ccccc2n1C.
What is the InChIKey of 3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole?
The InChIKey is HCYZXZMDWXUKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO/c1-18-25(21-15-9-10-16-23(21)27(18)2)22-17-24(19-11-5-3-6-12-19)28-26(22)20-13-7-4-8-14-20/h3-17H,1-2H3.
What are the key properties of 3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole?
3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole has a molecular weight of 363.46 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diphenylfuran-3-yl)-1,2-dimethylindole is sourced from PubChem (CID 140896412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).