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

C48H30N6O — CID 162775026

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

4-(4-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 162775026) has the molecular formula C48H30N6O and a molecular weight of 706.81 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

• Compound Name: 4-(4-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
• PubChem CID: 162775026
• Molecular Formula: C48H30N6O
• Molecular Weight: 706.81 g/mol
• Exact Mass: 706.25
• IUPAC Name: 4-(4-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
• SMILES: c1ccc(-c2ccc(-c3ncc4oc5ncc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)cc6)cc5c4n3)cc2)cc1
• InChI: InChI=1S/C48H30N6O/c1-4-11-31(12-5-1)33-19-23-36(24-20-33)44-49-30-42-43(51-44)41-28-40(29-50-48(41)55-42)34-21-25-37(26-22-34)46-52-45(35-15-8-3-9-16-35)53-47(54-46)39-18-10-17-38(27-39)32-13-6-2-7-14-32/h1-30H
• InChIKey: VWKARDKLQCMXNB-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 90.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.81
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(4-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 162775026) is 4-(4-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

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

The canonical SMILES for 4-(4-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1ccc(-c2ccc(-c3ncc4oc5ncc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)cc6)cc5c4n3)cc2)cc1.

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

The InChIKey is VWKARDKLQCMXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O/c1-4-11-31(12-5-1)33-19-23-36(24-20-33)44-49-30-42-43(51-44)41-28-40(29-50-48(41)55-42)34-21-25-37(26-22-34)46-52-45(35-15-8-3-9-16-35)53-47(54-46)39-18-10-17-38(27-39)32-13-6-2-7-14-32/h1-30H.

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

4-(4-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 706.81 g/mol, XLogP of 11.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 162775026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).