4-[4-(4,6-diphenyl-1,3,5-triazin-2-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

C42H26N6O — CID 159917708

About 4-[4-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-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 159917708) has the molecular formula C42H26N6O and a molecular weight of 630.71 g/mol. Its IUPAC name is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-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: 159917708
• Molecular Formula: C42H26N6O
• Molecular Weight: 630.71 g/mol
• Exact Mass: 630.22
• IUPAC Name: 4-[4-(4,6-diphenyl-1,3,5-triazin-2-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(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)nc4c3oc3ncccc34)cc2)cc1
• InChI: InChI=1S/C42H26N6O/c1-4-11-27(12-5-1)28-18-20-29(21-19-28)35-37-36(34-17-10-26-43-42(34)49-37)45-38(44-35)32-22-24-33(25-23-32)41-47-39(30-13-6-2-7-14-30)46-40(48-41)31-15-8-3-9-16-31/h1-26H
• InChIKey: NXZPMUIXDKYZPQ-UHFFFAOYSA-N
• XLogP: 9.96
• TPSA: 90.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.71
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-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 159917708) is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-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(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)nc4c3oc3ncccc34)cc2)cc1.

What is the InChIKey of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-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 NXZPMUIXDKYZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N6O/c1-4-11-27(12-5-1)28-18-20-29(21-19-28)35-37-36(34-17-10-26-43-42(34)49-37)45-38(44-35)32-22-24-33(25-23-32)41-47-39(30-13-6-2-7-14-30)46-40(48-41)31-15-8-3-9-16-31/h1-26H.

What are the key properties of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-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 630.71 g/mol, XLogP of 9.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-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 159917708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).