14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C57H36N4O — CID 156552056

About 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 156552056) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 156552056
• Molecular Formula: C57H36N4O
• Molecular Weight: 792.94 g/mol
• Exact Mass: 792.29
• IUPAC Name: 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-n6c7ccccc7c7c8c(ccc76)oc6ccccc68)c5)c4)n3)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C57H36N4O/c1-4-16-37(17-5-1)42-30-31-45(48(36-42)38-18-6-2-7-19-38)57-59-55(39-20-8-3-9-21-39)58-56(60-57)43-24-14-22-40(34-43)41-23-15-25-44(35-41)61-49-28-12-10-26-46(49)53-50(61)32-33-52-54(53)47-27-11-13-29-51(47)62-52/h1-36H
• InChIKey: YGBWECKHNGQKRA-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.94
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 156552056) is 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-n6c7ccccc7c7c8c(ccc76)oc6ccccc68)c5)c4)n3)c(-c3ccccc3)c2)cc1.

What is the InChIKey of 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is YGBWECKHNGQKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-16-37(17-5-1)42-30-31-45(48(36-42)38-18-6-2-7-19-38)57-59-55(39-20-8-3-9-21-39)58-56(60-57)43-24-14-22-40(34-43)41-23-15-25-44(35-41)61-49-28-12-10-26-46(49)53-50(61)32-33-52-54(53)47-27-11-13-29-51(47)62-52/h1-36H.

What are the key properties of 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 792.94 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[3-[4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 156552056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).