9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene

C124H80 — CID 162239926

About 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene

9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene (PubChem CID 162239926) has the molecular formula C124H80 and a molecular weight of 1570.00 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene.

Molecular Properties

• Compound Name: 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene
• PubChem CID: 162239926
• Molecular Formula: C124H80
• Molecular Weight: 1570.00 g/mol
• Exact Mass: 1568.63
• IUPAC Name: 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c2)cc1
• InChI: InChI=1S/C44H28.2C40H26/c1-2-12-29(13-3-1)30-22-23-32-27-34(25-24-31(32)26-30)43-38-18-8-10-20-40(38)44(41-21-11-9-19-39(41)43)42-28-33-14-4-5-15-35(33)36-16-6-7-17-37(36)42;1-2-13-29-25-31(24-23-27(29)11-1)30-15-9-16-32(26-30)39-35-18-5-7-20-37(35)40(38-21-8-6-19-36(38)39)34-22-10-14-28-12-3-4-17-33(28)34;1-2-13-27(14-3-1)28-16-12-17-30(25-28)39-34-21-8-10-23-36(34)40(37-24-11-9-22-35(37)39)38-26-29-15-4-5-18-31(29)32-19-6-7-20-33(32)38/h1-28H;2*1-26H
• InChIKey: ZWOGOHXWRZKUMR-UHFFFAOYSA-N
• XLogP: 35.05
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1570.00
LogP ≤ 5	35.05
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-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene?

The IUPAC name of 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene (CID 162239926) is 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene.

What is the SMILES notation for 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene?

The canonical SMILES for 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c2)cc1.

What is the InChIKey of 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene?

The InChIKey is ZWOGOHXWRZKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28.2C40H26/c1-2-12-29(13-3-1)30-22-23-32-27-34(25-24-31(32)26-30)43-38-18-8-10-20-40(38)44(41-21-11-9-19-39(41)43)42-28-33-14-4-5-15-35(33)36-16-6-7-17-37(36)42;1-2-13-29-25-31(24-23-27(29)11-1)30-15-9-16-32(26-30)39-35-18-5-7-20-37(35)40(38-21-8-6-19-36(38)39)34-22-10-14-28-12-3-4-17-33(28)34;1-2-13-27(14-3-1)28-16-12-17-30(25-28)39-34-21-8-10-23-36(34)40(37-24-11-9-22-35(37)39)38-26-29-15-4-5-18-31(29)32-19-6-7-20-33(32)38/h1-28H;2*1-26H.

What are the key properties of 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene?

9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene has a molecular weight of 1570.00 g/mol, XLogP of 35.05, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene is sourced from PubChem (CID 162239926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).