7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol

C52H34O7 — CID 163766760

About 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol

7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol (PubChem CID 163766760) has the molecular formula C52H34O7 and a molecular weight of 770.84 g/mol. Its IUPAC name is 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol.

Molecular Properties

• Compound Name: 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol
• PubChem CID: 163766760
• Molecular Formula: C52H34O7
• Molecular Weight: 770.84 g/mol
• Exact Mass: 770.23
• IUPAC Name: 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol
• SMILES: Oc1c(O)c(O)c2c(-c3ccc4ccccc4c3)c3c(O)c(-c4ccc5ccccc5c4)c(O)c(O)c3c(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2c1O
• InChI: InChI=1S/C52H34O7/c53-46-41(38-24-22-30-12-5-7-14-34(30)27-38)47(54)48(55)43-39(36-16-8-15-35(25-36)32-19-17-31(18-20-32)28-9-2-1-3-10-28)44-45(50(57)52(59)51(58)49(44)56)40(42(43)46)37-23-21-29-11-4-6-13-33(29)26-37/h1-27,53-59H
• InChIKey: MCYYDMYBSQBGLO-UHFFFAOYSA-N
• XLogP: 12.57
• TPSA: 141.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	770.84
LogP ≤ 5	12.57
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol?

The IUPAC name of 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol (CID 163766760) is 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol.

What is the SMILES notation for 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol?

The canonical SMILES for 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol is Oc1c(O)c(O)c2c(-c3ccc4ccccc4c3)c3c(O)c(-c4ccc5ccccc5c4)c(O)c(O)c3c(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2c1O.

What is the InChIKey of 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol?

The InChIKey is MCYYDMYBSQBGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34O7/c53-46-41(38-24-22-30-12-5-7-14-34(30)27-38)47(54)48(55)43-39(36-16-8-15-35(25-36)32-19-17-31(18-20-32)28-9-2-1-3-10-28)44-45(50(57)52(59)51(58)49(44)56)40(42(43)46)37-23-21-29-11-4-6-13-33(29)26-37/h1-27,53-59H.

What are the key properties of 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol?

7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol has a molecular weight of 770.84 g/mol, XLogP of 12.57, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol is sourced from PubChem (CID 163766760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).