2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C37H22N2O3 — CID 168735658

About 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 168735658) has the molecular formula C37H22N2O3 and a molecular weight of 542.59 g/mol. Its IUPAC name is 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 168735658
• Molecular Formula: C37H22N2O3
• Molecular Weight: 542.59 g/mol
• Exact Mass: 542.16
• IUPAC Name: 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: O=C1C(=Cc2nc3oc(-c4ccccc4)cc3n2-c2ccc(-c3ccccc3)cc2)C(=O)c2cc3ccccc3cc21
• InChI: InChI=1S/C37H22N2O3/c40-35-29-19-26-13-7-8-14-27(26)20-30(29)36(41)31(35)21-34-38-37-32(22-33(42-37)25-11-5-2-6-12-25)39(34)28-17-15-24(16-18-28)23-9-3-1-4-10-23/h1-22H
• InChIKey: ALFDIDQWUNFYKU-UHFFFAOYSA-N
• XLogP: 8.57
• TPSA: 65.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.59
LogP ≤ 5	8.57
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-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 168735658) is 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is O=C1C(=Cc2nc3oc(-c4ccccc4)cc3n2-c2ccc(-c3ccccc3)cc2)C(=O)c2cc3ccccc3cc21.

What is the InChIKey of 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is ALFDIDQWUNFYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O3/c40-35-29-19-26-13-7-8-14-27(26)20-30(29)36(41)31(35)21-34-38-37-32(22-33(42-37)25-11-5-2-6-12-25)39(34)28-17-15-24(16-18-28)23-9-3-1-4-10-23/h1-22H.

What are the key properties of 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 542.59 g/mol, XLogP of 8.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 168735658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).