7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene

C51H34N4O — CID 171750342

About 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene

7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene (PubChem CID 171750342) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene.

Molecular Properties

• Compound Name: 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
• PubChem CID: 171750342
• Molecular Formula: C51H34N4O
• Molecular Weight: 718.86 g/mol
• Exact Mass: 718.27
• IUPAC Name: 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
• SMILES: C1=CC2C(c3ccccc3N2c2ccccc2)c2c1oc1c(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cccc21
• InChI: InChI=1S/C51H34N4O/c1-5-16-33(17-6-1)36-30-37(34-18-7-2-8-19-34)32-38(31-36)50-52-49(35-20-9-3-10-21-35)53-51(54-50)42-26-15-25-41-47-45(56-48(41)42)29-28-44-46(47)40-24-13-14-27-43(40)55(44)39-22-11-4-12-23-39/h1-32,44,46H
• InChIKey: CXJUASREKZIWHK-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 55.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.86
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?

The IUPAC name of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene (CID 171750342) is 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene.

What is the SMILES notation for 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?

The canonical SMILES for 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene is C1=CC2C(c3ccccc3N2c2ccccc2)c2c1oc1c(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cccc21.

What is the InChIKey of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?

The InChIKey is CXJUASREKZIWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-5-16-33(17-6-1)36-30-37(34-18-7-2-8-19-34)32-38(31-36)50-52-49(35-20-9-3-10-21-35)53-51(54-50)42-26-15-25-41-47-45(56-48(41)42)29-28-44-46(47)40-24-13-14-27-43(40)55(44)39-22-11-4-12-23-39/h1-32,44,46H.

What are the key properties of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?

7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene has a molecular weight of 718.86 g/mol, XLogP of 12.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene is sourced from PubChem (CID 171750342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).