2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline

C62H36N4 — CID 163611723

About 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline

2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline (PubChem CID 163611723) has the molecular formula C62H36N4 and a molecular weight of 837.00 g/mol. Its IUPAC name is 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline.

Molecular Properties

• Compound Name: 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline
• PubChem CID: 163611723
• Molecular Formula: C62H36N4
• Molecular Weight: 837.00 g/mol
• Exact Mass: 836.29
• IUPAC Name: 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline
• SMILES: c1ccc2c(-c3ccc4cc(-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)c6ccccc6n5)ccc4c3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc2c1
• InChI: InChI=1S/C62H36N4/c1-3-17-47-43(13-1)45-15-5-7-19-49(45)55-35-40(29-31-51(47)55)60-54-22-10-12-24-58(54)63-61(66-60)41-28-26-37-33-39(27-25-38(37)34-41)59-53-21-9-11-23-57(53)64-62(65-59)42-30-32-52-48-18-4-2-14-44(48)46-16-6-8-20-50(46)56(52)36-42/h1-36H
• InChIKey: HGMLVLYKRUQDMU-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.00
LogP ≤ 5	16.31
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 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline?

The IUPAC name of 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline (CID 163611723) is 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline.

What is the SMILES notation for 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline?

The canonical SMILES for 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline is c1ccc2c(-c3ccc4cc(-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)c6ccccc6n5)ccc4c3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc2c1.

What is the InChIKey of 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline?

The InChIKey is HGMLVLYKRUQDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4/c1-3-17-47-43(13-1)45-15-5-7-19-49(45)55-35-40(29-31-51(47)55)60-54-22-10-12-24-58(54)63-61(66-60)41-28-26-37-33-39(27-25-38(37)34-41)59-53-21-9-11-23-57(53)64-62(65-59)42-30-32-52-48-18-4-2-14-44(48)46-16-6-8-20-50(46)56(52)36-42/h1-36H.

What are the key properties of 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline?

2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline has a molecular weight of 837.00 g/mol, XLogP of 16.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline is sourced from PubChem (CID 163611723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).