9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene

C98H62 — CID 159812962

About 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene

9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene (PubChem CID 159812962) has the molecular formula C98H62 and a molecular weight of 1239.57 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
• PubChem CID: 159812962
• Molecular Formula: C98H62
• Molecular Weight: 1239.57 g/mol
• Exact Mass: 1238.49
• IUPAC Name: 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5c4)cc3)ccc2c1
• InChI: InChI=1S/C50H32.C48H30/c1-3-11-38-29-40(25-21-33(38)9-1)35-17-19-36(20-18-35)41-26-22-37-24-28-43(32-44(37)31-41)50-47-15-7-5-13-45(47)49(46-14-6-8-16-48(46)50)42-27-23-34-10-2-4-12-39(34)30-42;1-2-12-33-27-36(25-22-31(33)11-1)47-42-17-7-9-19-44(42)48(45-20-10-8-18-43(45)47)37-26-23-32-21-24-35(28-38(32)29-37)46-30-34-13-3-4-14-39(34)40-15-5-6-16-41(40)46/h1-32H;1-30H
• InChIKey: NLGNATSZXDAIIK-UHFFFAOYSA-N
• XLogP: 27.73
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1239.57
LogP ≤ 5	27.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene?

The IUPAC name of 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene (CID 159812962) is 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene.

What is the SMILES notation for 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene?

The canonical SMILES for 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5c4)cc3)ccc2c1.

What is the InChIKey of 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene?

The InChIKey is NLGNATSZXDAIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.C48H30/c1-3-11-38-29-40(25-21-33(38)9-1)35-17-19-36(20-18-35)41-26-22-37-24-28-43(32-44(37)31-41)50-47-15-7-5-13-45(47)49(46-14-6-8-16-48(46)50)42-27-23-34-10-2-4-12-39(34)30-42;1-2-12-33-27-36(25-22-31(33)11-1)47-42-17-7-9-19-44(42)48(45-20-10-8-18-43(45)47)37-26-23-32-21-24-35(28-38(32)29-37)46-30-34-13-3-4-14-39(34)40-15-5-6-16-41(40)46/h1-32H;1-30H.

What are the key properties of 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene?

9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene has a molecular weight of 1239.57 g/mol, XLogP of 27.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 159812962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).