5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline

C59H37N — CID 59183229

About 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline

5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline (PubChem CID 59183229) has the molecular formula C59H37N and a molecular weight of 759.95 g/mol. Its IUPAC name is 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline.

Molecular Properties

• Compound Name: 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline
• PubChem CID: 59183229
• Molecular Formula: C59H37N
• Molecular Weight: 759.95 g/mol
• Exact Mass: 759.29
• IUPAC Name: 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6cnccc6c(-c6cccc7ccccc67)c5c4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C59H37N/c1-2-15-41(16-3-1)56-48-20-8-10-22-50(48)57(51-23-11-9-21-49(51)56)42-28-25-39(26-29-42)44-31-32-52-54(36-44)59(47-24-12-18-40-14-6-7-19-46(40)47)53-33-34-60-37-55(53)58(52)45-30-27-38-13-4-5-17-43(38)35-45/h1-37H
• InChIKey: QUGQGKIXVVANST-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.95
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline?

The IUPAC name of 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline (CID 59183229) is 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline.

What is the SMILES notation for 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline?

The canonical SMILES for 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6cnccc6c(-c6cccc7ccccc67)c5c4)cc3)c3ccccc23)cc1.

What is the InChIKey of 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline?

The InChIKey is QUGQGKIXVVANST-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N/c1-2-15-41(16-3-1)56-48-20-8-10-22-50(48)57(51-23-11-9-21-49(51)56)42-28-25-39(26-29-42)44-31-32-52-54(36-44)59(47-24-12-18-40-14-6-7-19-46(40)47)53-33-34-60-37-55(53)58(52)45-30-27-38-13-4-5-17-43(38)35-45/h1-37H.

What are the key properties of 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline?

5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline has a molecular weight of 759.95 g/mol, XLogP of 16.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline is sourced from PubChem (CID 59183229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).