9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene

C146H92 — CID 161455354

About 9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene

9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene (PubChem CID 161455354) has the molecular formula C146H92 and a molecular weight of 1846.34 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene.

Molecular Properties

• Compound Name: 9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene
• PubChem CID: 161455354
• Molecular Formula: C146H92
• Molecular Weight: 1846.34 g/mol
• Exact Mass: 1844.72
• IUPAC Name: 9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene
• SMILES: c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3ccc4ccc(-c5c6ccccc6c(-c6cccc7c(-c8ccc9ccccc9c8)cccc67)c6ccccc56)cc4c3)ccc2c1.c1ccc2cc(-c3ccc4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4c3)ccc2c1
• InChI: InChI=1S/C54H34.C48H30.C44H28/c1-3-13-38-31-40(27-23-35(38)11-1)41-28-24-37-26-30-43(34-44(37)33-41)53-49-15-5-7-17-51(49)54(52-18-8-6-16-50(52)53)48-22-10-20-46-45(19-9-21-47(46)48)42-29-25-36-12-2-4-14-39(36)32-42;1-3-17-33-31(14-1)16-13-27-40(33)47-41-23-9-11-25-43(41)48(44-26-12-10-24-42(44)47)45-29-28-39(36-20-6-7-21-37(36)45)46-30-32-15-2-4-18-34(32)35-19-5-8-22-38(35)46;1-2-12-32-26-33(23-20-29(32)10-1)34-24-21-30-22-25-35(28-36(30)27-34)43-39-15-5-7-17-41(39)44(42-18-8-6-16-40(42)43)38-19-9-13-31-11-3-4-14-37(31)38/h1-34H;1-30H;1-28H
• InChIKey: WBBSOGRGLFZMKI-UHFFFAOYSA-N
• XLogP: 41.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1846.34
LogP ≤ 5	41.33
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-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene?

The IUPAC name of 9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene (CID 161455354) is 9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene.

What is the SMILES notation for 9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene?

The canonical SMILES for 9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3ccc4ccc(-c5c6ccccc6c(-c6cccc7c(-c8ccc9ccccc9c8)cccc67)c6ccccc56)cc4c3)ccc2c1.c1ccc2cc(-c3ccc4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4c3)ccc2c1.

What is the InChIKey of 9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene?

The InChIKey is WBBSOGRGLFZMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34.C48H30.C44H28/c1-3-13-38-31-40(27-23-35(38)11-1)41-28-24-37-26-30-43(34-44(37)33-41)53-49-15-5-7-17-51(49)54(52-18-8-6-16-50(52)53)48-22-10-20-46-45(19-9-21-47(46)48)42-29-25-36-12-2-4-14-39(36)32-42;1-3-17-33-31(14-1)16-13-27-40(33)47-41-23-9-11-25-43(41)48(44-26-12-10-24-42(44)47)45-29-28-39(36-20-6-7-21-37(36)45)46-30-32-15-2-4-18-34(32)35-19-5-8-22-38(35)46;1-2-12-32-26-33(23-20-29(32)10-1)34-24-21-30-22-25-35(28-36(30)27-34)43-39-15-5-7-17-41(39)44(42-18-8-6-16-40(42)43)38-19-9-13-31-11-3-4-14-37(31)38/h1-34H;1-30H;1-28H.

What are the key properties of 9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene?

9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene has a molecular weight of 1846.34 g/mol, XLogP of 41.33, 10 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-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 161455354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).