9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene

C142H92 — CID 157105875

About 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene

9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene (PubChem CID 157105875) has the molecular formula C142H92 and a molecular weight of 1798.30 g/mol. Its IUPAC name is 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene.

Molecular Properties

• Compound Name: 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
• PubChem CID: 157105875
• Molecular Formula: C142H92
• Molecular Weight: 1798.30 g/mol
• Exact Mass: 1796.72
• IUPAC Name: 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
• SMILES: c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)cc4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C50H32.2C46H30/c1-2-14-35(15-3-1)49-43-22-10-12-24-45(43)50(46-25-13-11-23-44(46)49)48-32-38(30-36-16-4-7-19-40(36)48)33-26-28-34(29-27-33)47-31-37-17-5-6-18-39(37)41-20-8-9-21-42(41)47;1-2-14-34(15-3-1)45-40-20-8-10-22-42(40)46(43-23-11-9-21-41(43)45)44-30-36(29-35-16-5-7-19-39(35)44)31-25-27-33(28-26-31)38-24-12-17-32-13-4-6-18-37(32)38;1-2-13-34(14-3-1)45-40-18-8-10-20-42(40)46(43-21-11-9-19-41(43)45)44-30-38(29-37-16-6-7-17-39(37)44)33-24-22-32(23-25-33)36-27-26-31-12-4-5-15-35(31)28-36/h1-32H;2*1-30H
• InChIKey: AGHHUZVQUPSFDS-UHFFFAOYSA-N
• XLogP: 40.06
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1798.30
LogP ≤ 5	40.06
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-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene?

The IUPAC name of 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene (CID 157105875) is 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene.

What is the SMILES notation for 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene?

The canonical SMILES for 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)cc4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene?

The InChIKey is AGHHUZVQUPSFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.2C46H30/c1-2-14-35(15-3-1)49-43-22-10-12-24-45(43)50(46-25-13-11-23-44(46)49)48-32-38(30-36-16-4-7-19-40(36)48)33-26-28-34(29-27-33)47-31-37-17-5-6-18-39(37)41-20-8-9-21-42(41)47;1-2-14-34(15-3-1)45-40-20-8-10-22-42(40)46(43-23-11-9-21-41(43)45)44-30-36(29-35-16-5-7-19-39(35)44)31-25-27-33(28-26-31)38-24-12-17-32-13-4-6-18-37(32)38;1-2-13-34(14-3-1)45-40-18-8-10-20-42(40)46(43-21-11-9-19-41(43)45)44-30-38(29-37-16-6-7-17-39(37)44)33-24-22-32(23-25-33)36-27-26-31-12-4-5-15-35(31)28-36/h1-32H;2*1-30H.

What are the key properties of 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene?

9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene has a molecular weight of 1798.30 g/mol, XLogP of 40.06, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene is sourced from PubChem (CID 157105875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).