5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine

C73H45N5 — CID 129201077

About 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine

5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine (PubChem CID 129201077) has the molecular formula C73H45N5 and a molecular weight of 992.20 g/mol. Its IUPAC name is 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine.

Molecular Properties

• Compound Name: 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
• PubChem CID: 129201077
• Molecular Formula: C73H45N5
• Molecular Weight: 992.20 g/mol
• Exact Mass: 991.37
• IUPAC Name: 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6cccc7c(-c8nc9ccccc9c9ccncc89)cccc67)cc(-c6cccc7c8ccccc8c8ccccc8c67)c5)c4)c3)n2)cc1
• InChI: InChI=1S/C73H45N5/c1-3-18-46(19-4-1)71-76-72(47-20-5-2-6-21-47)78-73(77-71)51-25-14-23-49(41-51)48-22-13-24-50(40-48)52-42-53(44-54(43-52)56-32-16-35-65-60-27-8-7-26-58(60)59-28-9-10-30-64(59)69(56)65)55-31-15-34-61-57(55)33-17-36-66(61)70-67-45-74-39-38-62(67)63-29-11-12-37-68(63)75-70/h1-45H
• InChIKey: JWEDRVUUZWUANW-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.20
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine?

The IUPAC name of 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine (CID 129201077) is 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine.

What is the SMILES notation for 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine?

The canonical SMILES for 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6cccc7c(-c8nc9ccccc9c9ccncc89)cccc67)cc(-c6cccc7c8ccccc8c8ccccc8c67)c5)c4)c3)n2)cc1.

What is the InChIKey of 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine?

The InChIKey is JWEDRVUUZWUANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45N5/c1-3-18-46(19-4-1)71-76-72(47-20-5-2-6-21-47)78-73(77-71)51-25-14-23-49(41-51)48-22-13-24-50(40-48)52-42-53(44-54(43-52)56-32-16-35-65-60-27-8-7-26-58(60)59-28-9-10-30-64(59)69(56)65)55-31-15-34-61-57(55)33-17-36-66(61)70-67-45-74-39-38-62(67)63-29-11-12-37-68(63)75-70/h1-45H.

What are the key properties of 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine?

5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine has a molecular weight of 992.20 g/mol, XLogP of 18.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine is sourced from PubChem (CID 129201077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).