7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]

C52H31NO — CID 126652975

About 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]

7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine] (PubChem CID 126652975) has the molecular formula C52H31NO and a molecular weight of 685.83 g/mol. Its IUPAC name is 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine].

Molecular Properties

• Compound Name: 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]
• PubChem CID: 126652975
• Molecular Formula: C52H31NO
• Molecular Weight: 685.83 g/mol
• Exact Mass: 685.24
• IUPAC Name: 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6oc7ccccc7c64)c4cccnc4-5)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C52H31NO/c1-2-13-32(14-3-1)33-24-26-34(27-25-33)47-36-15-4-6-17-38(36)48(39-18-7-5-16-37(39)47)35-28-29-40-45(31-35)52(44-22-12-30-53-50(40)44)43-21-10-8-19-41(43)51-49(52)42-20-9-11-23-46(42)54-51/h1-31H
• InChIKey: QXMDZEFRFIDVIY-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.83
LogP ≤ 5	13.48
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 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]?

The IUPAC name of 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine] (CID 126652975) is 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine].

What is the SMILES notation for 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]?

The canonical SMILES for 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine] is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6oc7ccccc7c64)c4cccnc4-5)c4ccccc34)cc2)cc1.

What is the InChIKey of 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]?

The InChIKey is QXMDZEFRFIDVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO/c1-2-13-32(14-3-1)33-24-26-34(27-25-33)47-36-15-4-6-17-38(36)48(39-18-7-5-16-37(39)47)35-28-29-40-45(31-35)52(44-22-12-30-53-50(40)44)43-21-10-8-19-41(43)51-49(52)42-20-9-11-23-46(42)54-51/h1-31H.

What are the key properties of 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]?

7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine] has a molecular weight of 685.83 g/mol, XLogP of 13.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine] is sourced from PubChem (CID 126652975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).