7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline

C₁₃₆H₈₈N₂ — CID 159994648

About 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline

7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline (PubChem CID 159994648) has the molecular formula C₁₃₆H₈₈N₂ and a molecular weight of 1750.21 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline.

Molecular Properties

• Compound Name: 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline
• PubChem CID: 159994648
• Molecular Formula: C₁₃₆H₈₈N₂
• Molecular Weight: 1750.21 g/mol
• Exact Mass: 1748.69
• IUPAC Name: 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline
• SMILES: Cc1cc(C)cc(-c2cc3ccc4ccc(-c5ccc6ccccc6c5)c5ccc(c2)c3c45)c1.c1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)cc1.c1cnc2cc(-c3ccc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c3)ccc2c1
• InChI: InChI=1S/C37H23N.C34H24.C33H21N.C32H20/c1-2-9-33-31(7-1)32-8-3-4-10-34(32)36-22-28(17-18-35(33)36)26-14-11-24-12-15-27(21-30(24)20-26)29-16-13-25-6-5-19-38-37(25)23-29;1-21-15-22(2)17-29(16-21)30-19-27-10-8-24-11-13-31(32-14-12-28(20-30)33(27)34(24)32)26-9-7-23-5-3-4-6-25(23)18-26;1-2-10-30-28(8-1)29-9-3-4-11-31(29)33-20-25(14-15-32(30)33)23-7-5-6-22(18-23)24-12-13-27-21-34-17-16-26(27)19-24;1-2-7-21(8-3-1)27-17-18-28(30-12-5-4-11-29(27)30)26-19-24-15-13-22-9-6-10-23-14-16-25(20-26)32(24)31(22)23/h1-23H;3-20H,1-2H3;1-21H;1-20H
• InChIKey: OHJQSYAQEVBRTM-UHFFFAOYSA-N
• XLogP: 37.97
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1750.21
LogP ≤ 5	37.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline?

The IUPAC name of 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline (CID 159994648) is 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline.

What is the SMILES notation for 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline?

The canonical SMILES for 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline is Cc1cc(C)cc(-c2cc3ccc4ccc(-c5ccc6ccccc6c5)c5ccc(c2)c3c45)c1.c1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)cc1.c1cnc2cc(-c3ccc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c3)ccc2c1.

What is the InChIKey of 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline?

The InChIKey is OHJQSYAQEVBRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N.C34H24.C33H21N.C32H20/c1-2-9-33-31(7-1)32-8-3-4-10-34(32)36-22-28(17-18-35(33)36)26-14-11-24-12-15-27(21-30(24)20-26)29-16-13-25-6-5-19-38-37(25)23-29;1-21-15-22(2)17-29(16-21)30-19-27-10-8-24-11-13-31(32-14-12-28(20-30)33(27)34(24)32)26-9-7-23-5-3-4-6-25(23)18-26;1-2-10-30-28(8-1)29-9-3-4-11-31(29)33-20-25(14-15-32(30)33)23-7-5-6-22(18-23)24-12-13-27-21-34-17-16-26(27)19-24;1-2-7-21(8-3-1)27-17-18-28(30-12-5-4-11-29(27)30)26-19-24-15-13-22-9-6-10-23-14-16-25(20-26)32(24)31(22)23/h1-23H;3-20H,1-2H3;1-21H;1-20H.

What are the key properties of 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline?

7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline has a molecular weight of 1750.21 g/mol, XLogP of 37.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline is sourced from PubChem (CID 159994648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159994648 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.