Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione

C₃₇H₂₇NO₂ — CID 66661911

About Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione

Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione (PubChem CID 66661911) has the molecular formula C₃₇H₂₇NO₂ and a molecular weight of 517.63 g/mol. Its IUPAC name is benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione.

Molecular Properties

• Compound Name: Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione
• PubChem CID: 66661911
• Molecular Formula: C₃₇H₂₇NO₂
• Molecular Weight: 517.63 g/mol
• Exact Mass: 517.20
• IUPAC Name: benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione
• SMILES: O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1.c1ccc(C(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C19H16.C18H11NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-15,19H;1-10,16H
• InChIKey: IFQACSFFKSZACB-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 47.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.63
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione?

The IUPAC name of Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione (CID 66661911) is benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione.

What is the SMILES notation for Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione?

The canonical SMILES for Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione is O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1.c1ccc(C(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione?

The InChIKey is IFQACSFFKSZACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.C18H11NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-15,19H;1-10,16H.

What are the key properties of Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione?

Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione has a molecular weight of 517.63 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Benzhydrylbenzene;2-quinolin-2-ylindene-1,3-dione is sourced from PubChem (CID 66661911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66661911 — identifiers, structure, computed properties (public domain)

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