2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene

C86H56 — CID 162243145

About 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene

2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene (PubChem CID 162243145) has the molecular formula C86H56 and a molecular weight of 1089.39 g/mol. Its IUPAC name is 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

• Compound Name: 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
• PubChem CID: 162243145
• Molecular Formula: C86H56
• Molecular Weight: 1089.39 g/mol
• Exact Mass: 1088.44
• IUPAC Name: 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
• SMILES: c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)cc1.c1ccc(-c2cccc3c(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6cccc7ccccc67)c5c4)cccc23)cc1
• InChI: InChI=1S/C46H30.C40H26/c1-3-14-31(15-4-1)35-23-12-26-39-37(24-13-25-38(35)39)34-28-29-43-44(30-34)46(40-27-11-19-32-16-7-8-20-36(32)40)42-22-10-9-21-41(42)45(43)33-17-5-2-6-18-33;1-2-14-29(15-3-1)39-35-20-8-9-21-36(35)40(34-23-11-17-28-13-5-7-19-32(28)34)38-26-30(24-25-37(38)39)33-22-10-16-27-12-4-6-18-31(27)33/h1-30H;1-26H
• InChIKey: ZWYZATUSWJWQGI-UHFFFAOYSA-N
• XLogP: 24.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1089.39
LogP ≤ 5	24.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene?

The IUPAC name of 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene (CID 162243145) is 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene.

What is the SMILES notation for 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene?

The canonical SMILES for 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene is c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)cc1.c1ccc(-c2cccc3c(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6cccc7ccccc67)c5c4)cccc23)cc1.

What is the InChIKey of 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene?

The InChIKey is ZWYZATUSWJWQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30.C40H26/c1-3-14-31(15-4-1)35-23-12-26-39-37(24-13-25-38(35)39)34-28-29-43-44(30-34)46(40-27-11-19-32-16-7-8-20-36(32)40)42-22-10-9-21-41(42)45(43)33-17-5-2-6-18-33;1-2-14-29(15-3-1)39-35-20-8-9-21-36(35)40(34-23-11-17-28-13-5-7-19-32(28)34)38-26-30(24-25-37(38)39)33-22-10-16-27-12-4-6-18-31(27)33/h1-30H;1-26H.

What are the key properties of 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene?

2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene has a molecular weight of 1089.39 g/mol, XLogP of 24.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 162243145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).