1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one

C51H32O2 — CID 157239720

About 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one

1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one (PubChem CID 157239720) has the molecular formula C51H32O2 and a molecular weight of 676.82 g/mol. Its IUPAC name is 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one.

Molecular Properties

• Compound Name: 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one
• PubChem CID: 157239720
• Molecular Formula: C51H32O2
• Molecular Weight: 676.82 g/mol
• Exact Mass: 676.24
• IUPAC Name: 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one
• SMILES: O=C1C(c2ccccc2)c2ccccc2C1c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1
• InChI: InChI=1S/C51H32O2/c52-51-49(31-12-2-1-3-13-31)41-20-10-11-21-42(41)50(51)33-24-22-32(23-25-33)47-37-16-6-8-18-39(37)48(40-19-9-7-17-38(40)47)36-26-27-45-43(29-36)44-28-34-14-4-5-15-35(34)30-46(44)53-45/h1-30,49-50H
• InChIKey: GAYYJSUMCQMFRM-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 30.21 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.82
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one?

The IUPAC name of 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one (CID 157239720) is 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one.

What is the SMILES notation for 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one?

The canonical SMILES for 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one is O=C1C(c2ccccc2)c2ccccc2C1c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1.

What is the InChIKey of 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one?

The InChIKey is GAYYJSUMCQMFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32O2/c52-51-49(31-12-2-1-3-13-31)41-20-10-11-21-42(41)50(51)33-24-22-32(23-25-33)47-37-16-6-8-18-39(37)48(40-19-9-7-17-38(40)47)36-26-27-45-43(29-36)44-28-34-14-4-5-15-35(34)30-46(44)53-45/h1-30,49-50H.

What are the key properties of 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one?

1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one has a molecular weight of 676.82 g/mol, XLogP of 13.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one is sourced from PubChem (CID 157239720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).