1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene

C198H126 — CID 160969963

About 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene

1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene (PubChem CID 160969963) has the molecular formula C198H126 and a molecular weight of 2505.19 g/mol. Its IUPAC name is 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene.

Molecular Properties

• Compound Name: 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene
• PubChem CID: 160969963
• Molecular Formula: C198H126
• Molecular Weight: 2505.19 g/mol
• Exact Mass: 2502.99
• IUPAC Name: 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene
• SMILES: c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c45)cc1.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5cccc6ccccc56)c5ccc2c3c45)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4ccc5ccc(-c6ccccc6)c6ccc3c4c56)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)cc1
• InChI: InChI=1S/C42H26.2C40H26.2C38H24/c1-3-11-27(12-4-1)32-21-19-29-20-22-36-38(28-13-5-2-6-14-28)26-40(37-24-23-35(32)41(29)42(36)37)39-25-30-15-7-8-16-31(30)33-17-9-10-18-34(33)39;1-4-12-27(13-5-1)31-18-10-11-19-33(31)38-26-37(29-16-8-3-9-17-29)35-23-21-30-20-22-32(28-14-6-2-7-15-28)34-24-25-36(38)40(35)39(30)34;1-4-11-27(12-5-1)31-17-10-18-32(25-31)38-26-37(29-15-8-3-9-16-29)35-22-20-30-19-21-33(28-13-6-2-7-14-28)34-23-24-36(38)40(35)39(30)34;1-3-10-25(11-4-1)30-20-18-28-19-21-33-35(27-12-5-2-6-13-27)24-36(34-23-22-32(30)37(28)38(33)34)31-17-9-15-26-14-7-8-16-29(26)31;1-3-10-26(11-4-1)31-19-17-28-18-20-33-35(27-12-5-2-6-13-27)24-36(34-22-21-32(31)37(28)38(33)34)30-16-15-25-9-7-8-14-29(25)23-30/h1-26H;2*1-26H;2*1-24H
• InChIKey: SYCUFGXEBRXIEC-UHFFFAOYSA-N
• XLogP: 55.87
• TPSA: 0.00 Ų
• Rotatable Bonds: 17
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2505.19
LogP ≤ 5	55.87
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-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene?

The IUPAC name of 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene (CID 160969963) is 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene.

What is the SMILES notation for 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene?

The canonical SMILES for 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene is c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c45)cc1.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5cccc6ccccc56)c5ccc2c3c45)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4ccc5ccc(-c6ccccc6)c6ccc3c4c56)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)cc1.

What is the InChIKey of 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene?

The InChIKey is SYCUFGXEBRXIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26.2C40H26.2C38H24/c1-3-11-27(12-4-1)32-21-19-29-20-22-36-38(28-13-5-2-6-14-28)26-40(37-24-23-35(32)41(29)42(36)37)39-25-30-15-7-8-16-31(30)33-17-9-10-18-34(33)39;1-4-12-27(13-5-1)31-18-10-11-19-33(31)38-26-37(29-16-8-3-9-17-29)35-23-21-30-20-22-32(28-14-6-2-7-15-28)34-24-25-36(38)40(35)39(30)34;1-4-11-27(12-5-1)31-17-10-18-32(25-31)38-26-37(29-15-8-3-9-16-29)35-22-20-30-19-21-33(28-13-6-2-7-14-28)34-23-24-36(38)40(35)39(30)34;1-3-10-25(11-4-1)30-20-18-28-19-21-33-35(27-12-5-2-6-13-27)24-36(34-23-22-32(30)37(28)38(33)34)31-17-9-15-26-14-7-8-16-29(26)31;1-3-10-26(11-4-1)31-19-17-28-18-20-33-35(27-12-5-2-6-13-27)24-36(34-22-21-32(31)37(28)38(33)34)30-16-15-25-9-7-8-14-29(25)23-30/h1-26H;2*1-26H;2*1-24H.

What are the key properties of 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene?

1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene has a molecular weight of 2505.19 g/mol, XLogP of 55.87, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene is sourced from PubChem (CID 160969963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).