7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline

C58H38N4 — CID 152912532

About 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline

7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline (PubChem CID 152912532) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
• PubChem CID: 152912532
• Molecular Formula: C58H38N4
• Molecular Weight: 790.97 g/mol
• Exact Mass: 790.31
• IUPAC Name: 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6ccc(-c7cccc8c7ccc7cccnc78)cc6)cc5)c4)n3)cc2)cc1
• InChI: InChI=1S/C58H38N4/c1-3-10-39(11-4-1)41-25-31-48(32-26-41)56-60-57(49-33-27-42(28-34-49)40-12-5-2-6-13-40)62-58(61-56)51-15-7-14-50(38-51)45-21-19-43(20-22-45)44-23-29-46(30-24-44)52-17-8-18-54-53(52)36-35-47-16-9-37-59-55(47)54/h1-38H
• InChIKey: UHMIVOJXSTVZDA-UHFFFAOYSA-N
• XLogP: 14.91
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.97
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline?

The IUPAC name of 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline (CID 152912532) is 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline.

What is the SMILES notation for 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline?

The canonical SMILES for 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6ccc(-c7cccc8c7ccc7cccnc78)cc6)cc5)c4)n3)cc2)cc1.

What is the InChIKey of 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline?

The InChIKey is UHMIVOJXSTVZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-3-10-39(11-4-1)41-25-31-48(32-26-41)56-60-57(49-33-27-42(28-34-49)40-12-5-2-6-13-40)62-58(61-56)51-15-7-14-50(38-51)45-21-19-43(20-22-45)44-23-29-46(30-24-44)52-17-8-18-54-53(52)36-35-47-16-9-37-59-55(47)54/h1-38H.

What are the key properties of 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline?

7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline has a molecular weight of 790.97 g/mol, XLogP of 14.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 152912532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).