2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile

C26H17N3O — CID 1246320

IUPAC2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(N=Cc2c[nH]c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H17N3O/c27-15-22-24(18-9-3-1-4-10-18)25(19-11-5-2-6-12-19)30-26(22)29-17-20-16-28-23-14-8-7-13-21(20)23/h1-14,16-17,28H
InChIKeyJSYVLUHZOPVFCV-UHFFFAOYSA-N
MW387.44 g/mol
LogP6.72
Rot. Bonds4

About 2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile

2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile (PubChem CID 1246320) has the molecular formula C26H17N3O and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile
PubChem CID1246320
Molecular FormulaC26H17N3O
Molecular Weight387.44 g/mol
Exact Mass387.14
IUPAC Name2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(N=Cc2c[nH]c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H17N3O/c27-15-22-24(18-9-3-1-4-10-18)25(19-11-5-2-6-12-19)30-26(22)29-17-20-16-28-23-14-8-7-13-21(20)23/h1-14,16-17,28H
InChIKeyJSYVLUHZOPVFCV-UHFFFAOYSA-N
XLogP6.72
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile?
The IUPAC name of 2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile (CID 1246320) is 2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile.
What is the SMILES notation for 2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile?
The canonical SMILES for 2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile is N#Cc1c(N=Cc2c[nH]c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile?
The InChIKey is JSYVLUHZOPVFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O/c27-15-22-24(18-9-3-1-4-10-18)25(19-11-5-2-6-12-19)30-26(22)29-17-20-16-28-23-14-8-7-13-21(20)23/h1-14,16-17,28H.
What are the key properties of 2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile?
2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile has a molecular weight of 387.44 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethylideneamino)-4,5-diphenylfuran-3-carbonitrile is sourced from PubChem (CID 1246320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).