4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C52H32N6O — CID 162775055

About 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 162775055) has the molecular formula C52H32N6O and a molecular weight of 756.87 g/mol. Its IUPAC name is 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 162775055
• Molecular Formula: C52H32N6O
• Molecular Weight: 756.87 g/mol
• Exact Mass: 756.26
• IUPAC Name: 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)cc4)nc4c3oc3ncccc34)cc2)cc1
• InChI: InChI=1S/C52H32N6O/c1-4-13-33(14-5-1)34-24-28-36(29-25-34)45-47-46(44-23-12-32-53-52(44)59-47)55-48(54-45)39-30-26-35(27-31-39)40-19-10-21-42-41(40)20-11-22-43(42)51-57-49(37-15-6-2-7-16-37)56-50(58-51)38-17-8-3-9-18-38/h1-32H
• InChIKey: BLZVJVOEYBAKEY-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 90.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.87
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 162775055) is 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)cc4)nc4c3oc3ncccc34)cc2)cc1.

What is the InChIKey of 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is BLZVJVOEYBAKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6O/c1-4-13-33(14-5-1)34-24-28-36(29-25-34)45-47-46(44-23-12-32-53-52(44)59-47)55-48(54-45)39-30-26-35(27-31-39)40-19-10-21-42-41(40)20-11-22-43(42)51-57-49(37-15-6-2-7-16-37)56-50(58-51)38-17-8-3-9-18-38/h1-32H.

What are the key properties of 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 756.87 g/mol, XLogP of 12.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 162775055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).