2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile

C39H27N3O2 — CID 10008182

About 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile

2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile (PubChem CID 10008182) has the molecular formula C39H27N3O2 and a molecular weight of 569.66 g/mol. Its IUPAC name is 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
• PubChem CID: 10008182
• Molecular Formula: C39H27N3O2
• Molecular Weight: 569.66 g/mol
• Exact Mass: 569.21
• IUPAC Name: 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
• SMILES: COc1cc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
• InChI: InChI=1S/C39H27N3O2/c1-43-34-23-33-31(35(26-14-6-2-7-15-26)37(42-33)28-18-10-4-11-19-28)22-30(34)25-41-39-32(24-40)36(27-16-8-3-9-17-27)38(44-39)29-20-12-5-13-21-29/h2-23,25,42H,1H3/b41-25+
• InChIKey: FYSUXHJLJMMULU-UACWCTJZSA-N
• XLogP: 10.06
• TPSA: 74.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.66
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?

The IUPAC name of 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile (CID 10008182) is 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile.

What is the SMILES notation for 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?

The canonical SMILES for 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile is COc1cc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N.

What is the InChIKey of 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?

The InChIKey is FYSUXHJLJMMULU-UACWCTJZSA-N. The full InChI is InChI=1S/C39H27N3O2/c1-43-34-23-33-31(35(26-14-6-2-7-15-26)37(42-33)28-18-10-4-11-19-28)22-30(34)25-41-39-32(24-40)36(27-16-8-3-9-17-27)38(44-39)29-20-12-5-13-21-29/h2-23,25,42H,1H3/b41-25+.

What are the key properties of 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?

2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile has a molecular weight of 569.66 g/mol, XLogP of 10.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile is sourced from PubChem (CID 10008182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).