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

C46H30N4 — CID 152931593

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

6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline (PubChem CID 152931593) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
• PubChem CID: 152931593
• Molecular Formula: C46H30N4
• Molecular Weight: 638.77 g/mol
• Exact Mass: 638.25
• IUPAC Name: 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)n3)cc2)cc1
• InChI: InChI=1S/C46H30N4/c1-3-11-31(12-4-1)33-20-24-35(25-21-33)44-48-45(36-26-22-34(23-27-36)32-13-5-2-6-14-32)50-46(49-44)39-16-9-15-37(29-39)42-30-38-17-10-28-47-43(38)41-19-8-7-18-40(41)42/h1-30H
• InChIKey: ULBOKZWLEUXAPM-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.77
LogP ≤ 5	11.57
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 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline?

The IUPAC name of 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline (CID 152931593) is 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline.

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

The canonical SMILES for 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)n3)cc2)cc1.

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

The InChIKey is ULBOKZWLEUXAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-3-11-31(12-4-1)33-20-24-35(25-21-33)44-48-45(36-26-22-34(23-27-36)32-13-5-2-6-14-32)50-46(49-44)39-16-9-15-37(29-39)42-30-38-17-10-28-47-43(38)41-19-8-7-18-40(41)42/h1-30H.

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

6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline has a molecular weight of 638.77 g/mol, XLogP of 11.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 152931593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).