2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C35H20N2O3 — CID 168735442

About 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 168735442) has the molecular formula C35H20N2O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 168735442
• Molecular Formula: C35H20N2O3
• Molecular Weight: 516.56 g/mol
• Exact Mass: 516.15
• IUPAC Name: 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: O=C1C(=Cc2nc3oc(-c4ccc5ccccc5c4)cc3n2-c2ccccc2)C(=O)c2cc3ccccc3cc21
• InChI: InChI=1S/C35H20N2O3/c38-33-27-17-23-10-6-7-11-24(23)18-28(27)34(39)29(33)19-32-36-35-30(37(32)26-12-2-1-3-13-26)20-31(40-35)25-15-14-21-8-4-5-9-22(21)16-25/h1-20H
• InChIKey: GBAAKIXQAJWRND-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 65.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.56
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 168735442) is 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is O=C1C(=Cc2nc3oc(-c4ccc5ccccc5c4)cc3n2-c2ccccc2)C(=O)c2cc3ccccc3cc21.

What is the InChIKey of 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is GBAAKIXQAJWRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N2O3/c38-33-27-17-23-10-6-7-11-24(23)18-28(27)34(39)29(33)19-32-36-35-30(37(32)26-12-2-1-3-13-26)20-31(40-35)25-15-14-21-8-4-5-9-22(21)16-25/h1-20H.

What are the key properties of 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 516.56 g/mol, XLogP of 8.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-naphthalen-2-yl-1-phenylfuro[2,3-d]imidazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 168735442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).