1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene

C132H78 — CID 161348592

About 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene

1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene (PubChem CID 161348592) has the molecular formula C132H78 and a molecular weight of 1664.08 g/mol. Its IUPAC name is 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene.

Molecular Properties

• Compound Name: 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
• PubChem CID: 161348592
• Molecular Formula: C132H78
• Molecular Weight: 1664.08 g/mol
• Exact Mass: 1662.61
• IUPAC Name: 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
• SMILES: c1cc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1cc(-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)c(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)c1
• InChI: InChI=1S/3C44H26/c1-5-27-13-15-31-17-21-37(39-23-19-29(7-1)41(27)43(31)39)35-11-3-9-33(25-35)34-10-4-12-36(26-34)38-22-18-32-16-14-28-6-2-8-30-20-24-40(38)44(32)42(28)30;1-4-29-14-16-33-18-22-37(39-24-20-31(6-1)41(29)43(33)39)28-12-10-27(11-13-28)35-8-3-9-36(26-35)38-23-19-34-17-15-30-5-2-7-32-21-25-40(38)44(34)42(30)32;1-2-10-37(38-24-20-34-18-16-30-6-4-8-32-22-26-40(38)44(34)42(30)32)35(9-1)27-11-13-28(14-12-27)36-23-19-33-17-15-29-5-3-7-31-21-25-39(36)43(33)41(29)31/h3*1-26H
• InChIKey: VNQDLWQZUKMYAO-UHFFFAOYSA-N
• XLogP: 37.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1664.08
LogP ≤ 5	37.45
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-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene?

The IUPAC name of 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene (CID 161348592) is 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene.

What is the SMILES notation for 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene?

The canonical SMILES for 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene is c1cc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1cc(-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)c(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)c1.

What is the InChIKey of 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene?

The InChIKey is VNQDLWQZUKMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H26/c1-5-27-13-15-31-17-21-37(39-23-19-29(7-1)41(27)43(31)39)35-11-3-9-33(25-35)34-10-4-12-36(26-34)38-22-18-32-16-14-28-6-2-8-30-20-24-40(38)44(32)42(28)30;1-4-29-14-16-33-18-22-37(39-24-20-31(6-1)41(29)43(33)39)28-12-10-27(11-13-28)35-8-3-9-36(26-35)38-23-19-34-17-15-30-5-2-7-32-21-25-40(38)44(34)42(30)32;1-2-10-37(38-24-20-34-18-16-30-6-4-8-32-22-26-40(38)44(34)42(30)32)35(9-1)27-11-13-28(14-12-27)36-23-19-33-17-15-29-5-3-7-31-21-25-39(36)43(33)41(29)31/h3*1-26H.

What are the key properties of 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene?

1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene has a molecular weight of 1664.08 g/mol, XLogP of 37.45, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene is sourced from PubChem (CID 161348592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).