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

C58H38N4 — CID 153156483

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

7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline (PubChem CID 153156483) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
• PubChem CID: 153156483
• Molecular Formula: C58H38N4
• Molecular Weight: 790.97 g/mol
• Exact Mass: 790.31
• IUPAC Name: 7-[3-[3-[4-[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(-c4ccc(-c5cccc(-c6cccc(-c7cccc8c7ccc7cccnc78)c6)c5)cc4)n3)cc2)cc1
• InChI: InChI=1S/C58H38N4/c1-3-11-39(12-4-1)41-22-28-45(29-23-41)56-60-57(46-30-24-42(25-31-46)40-13-5-2-6-14-40)62-58(61-56)47-32-26-43(27-33-47)48-15-7-16-49(37-48)50-17-8-18-51(38-50)52-20-9-21-54-53(52)35-34-44-19-10-36-59-55(44)54/h1-38H
• InChIKey: WBMUQQGOJWSNQU-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-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline?

The IUPAC name of 7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline (CID 153156483) is 7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline.

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

The canonical SMILES for 7-[3-[3-[4-[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(-c4ccc(-c5cccc(-c6cccc(-c7cccc8c7ccc7cccnc78)c6)c5)cc4)n3)cc2)cc1.

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

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

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

7-[3-[3-[4-[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-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 153156483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).