9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene

C136H84N9O4P — CID 165081497

About 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene

9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene (PubChem CID 165081497) has the molecular formula C136H84N9O4P and a molecular weight of 1939.20 g/mol. Its IUPAC name is 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene
• PubChem CID: 165081497
• Molecular Formula: C136H84N9O4P
• Molecular Weight: 1939.20 g/mol
• Exact Mass: 1937.64
• IUPAC Name: 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3c4c(oc32)c(-c2ccccc2)nc2ccccc24)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(oc54)c(-c4cccc5ccccc45)nc4ccccc46)cc3)n2)cc1.c1ccc(-c2nc3ccccc3c3c2oc2c3c3ccccc3n2-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C48H29N5O.C47H28N2O.C41H27N2O2P/c1-3-15-31(16-4-1)45-50-46(32-17-5-2-6-18-32)52-47(51-45)33-26-28-34(29-27-33)53-40-25-12-10-22-38(40)42-41-37-21-9-11-24-39(37)49-43(44(41)54-48(42)53)36-23-13-19-30-14-7-8-20-35(30)36;1-2-12-30(13-3-1)45-46-43(38-18-8-10-20-41(38)48-45)44-39-19-9-11-21-42(39)49(47(44)50-46)32-25-22-29(23-26-32)31-24-27-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)40(37)28-31;44-46(30-16-6-2-7-17-30,31-18-8-3-9-19-31)32-26-24-29(25-27-32)43-36-23-13-11-21-34(36)38-37-33-20-10-12-22-35(33)42-39(40(37)45-41(38)43)28-14-4-1-5-15-28/h1-29H;1-28H;1-27H
• InChIKey: VEXNEJHQKZRWTR-UHFFFAOYSA-N
• XLogP: 34.34
• TPSA: 148.62 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1939.20
LogP ≤ 5	34.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene?

The IUPAC name of 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene (CID 165081497) is 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene.

What is the SMILES notation for 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene?

The canonical SMILES for 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3c4c(oc32)c(-c2ccccc2)nc2ccccc24)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(oc54)c(-c4cccc5ccccc45)nc4ccccc46)cc3)n2)cc1.c1ccc(-c2nc3ccccc3c3c2oc2c3c3ccccc3n2-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.

What is the InChIKey of 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene?

The InChIKey is VEXNEJHQKZRWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5O.C47H28N2O.C41H27N2O2P/c1-3-15-31(16-4-1)45-50-46(32-17-5-2-6-18-32)52-47(51-45)33-26-28-34(29-27-33)53-40-25-12-10-22-38(40)42-41-37-21-9-11-24-39(37)49-43(44(41)54-48(42)53)36-23-13-19-30-14-7-8-20-35(30)36;1-2-12-30(13-3-1)45-46-43(38-18-8-10-20-41(38)48-45)44-39-19-9-11-21-42(39)49(47(44)50-46)32-25-22-29(23-26-32)31-24-27-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)40(37)28-31;44-46(30-16-6-2-7-17-30,31-18-8-3-9-19-31)32-26-24-29(25-27-32)43-36-23-13-11-21-34(36)38-37-33-20-10-12-22-35(33)42-39(40(37)45-41(38)43)28-14-4-1-5-15-28/h1-29H;1-28H;1-27H.

What are the key properties of 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene?

9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene has a molecular weight of 1939.20 g/mol, XLogP of 34.34, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-diphenylphosphorylphenyl)-13-phenyl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;13-phenyl-9-(4-triphenylen-2-ylphenyl)-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene is sourced from PubChem (CID 165081497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).