1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene

C144H90 — CID 158032644

About 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene

1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene (PubChem CID 158032644) has the molecular formula C144H90 and a molecular weight of 1820.30 g/mol. Its IUPAC name is 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene.

Molecular Properties

• Compound Name: 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
• PubChem CID: 158032644
• Molecular Formula: C144H90
• Molecular Weight: 1820.30 g/mol
• Exact Mass: 1818.70
• IUPAC Name: 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
• SMILES: c1ccc(-c2cc(-c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc4ccccc34)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1.c1ccc2c(-c3ccc(-c4ccc5ccc6ccc(-c7cccc8ccccc78)c7ccc4c5c67)cc3)cccc2c1
• InChI: InChI=1S/C54H34.C48H30.C42H26/c1-3-15-36(16-4-1)41-23-11-12-24-43(41)51-34-52(44-25-13-21-37-19-9-10-22-42(37)44)48-30-28-45-49(38-17-5-2-6-18-38)33-50(46-29-31-47(51)54(48)53(45)46)40-27-26-35-14-7-8-20-39(35)32-40;1-3-13-33(14-4-1)43-29-45(37-21-19-31-11-7-9-17-35(31)27-37)41-26-24-40-44(34-15-5-2-6-16-34)30-46(42-25-23-39(43)47(41)48(40)42)38-22-20-32-12-8-10-18-36(32)28-38;1-3-11-33-27(7-1)9-5-13-34(33)29-15-17-30(18-16-29)36-23-21-31-19-20-32-22-24-38(40-26-25-39(36)41(31)42(32)40)37-14-6-10-28-8-2-4-12-35(28)37/h1-34H;1-30H;1-26H
• InChIKey: FHJBYURMKKXXMF-UHFFFAOYSA-N
• XLogP: 40.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1820.30
LogP ≤ 5	40.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene?

The IUPAC name of 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene (CID 158032644) is 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene.

What is the SMILES notation for 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene?

The canonical SMILES for 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene is c1ccc(-c2cc(-c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc4ccccc34)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1.c1ccc2c(-c3ccc(-c4ccc5ccc6ccc(-c7cccc8ccccc78)c7ccc4c5c67)cc3)cccc2c1.

What is the InChIKey of 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene?

The InChIKey is FHJBYURMKKXXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34.C48H30.C42H26/c1-3-15-36(16-4-1)41-23-11-12-24-43(41)51-34-52(44-25-13-21-37-19-9-10-22-42(37)44)48-30-28-45-49(38-17-5-2-6-18-38)33-50(46-29-31-47(51)54(48)53(45)46)40-27-26-35-14-7-8-20-39(35)32-40;1-3-13-33(14-4-1)43-29-45(37-21-19-31-11-7-9-17-35(31)27-37)41-26-24-40-44(34-15-5-2-6-16-34)30-46(42-25-23-39(43)47(41)48(40)42)38-22-20-32-12-8-10-18-36(32)28-38;1-3-11-33-27(7-1)9-5-13-34(33)29-15-17-30(18-16-29)36-23-21-31-19-20-32-22-24-38(40-26-25-39(36)41(31)42(32)40)37-14-6-10-28-8-2-4-12-35(28)37/h1-34H;1-30H;1-26H.

What are the key properties of 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene?

1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene has a molecular weight of 1820.30 g/mol, XLogP of 40.68, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene is sourced from PubChem (CID 158032644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).