5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide

C132H93O9P3 — CID 159238777

About 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide

5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide (PubChem CID 159238777) has the molecular formula C132H93O9P3 and a molecular weight of 1916.11 g/mol. Its IUPAC name is 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide.

Molecular Properties

• Compound Name: 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide
• PubChem CID: 159238777
• Molecular Formula: C132H93O9P3
• Molecular Weight: 1916.11 g/mol
• Exact Mass: 1914.60
• IUPAC Name: 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide
• SMILES: Cc1ccccc1-c1cc(-c2ccccc2C)c2c3c1Oc1cc(-c4ccccc4)ccc1P3(=O)c1ccc(-c3ccccc3)cc1O2.Cc1ccccc1-c1ccc2c(c1)Oc1c(-c3ccccc3)cc(-c3ccccc3C)c3c1P2(=O)c1ccc(-c2ccccc2)cc1O3.Cc1ccccc1-c1ccc2c(c1)Oc1c(-c3ccccc3C)cc(-c3ccccc3)c3c1P2(=O)c1ccc(-c2ccccc2)cc1O3
• InChI: InChI=1S/3C44H31O3P/c1-28-13-9-11-19-34(28)33-22-24-41-39(26-33)46-42-36(31-17-7-4-8-18-31)27-37(35-20-12-10-14-29(35)2)43-44(42)48(41,45)40-23-21-32(25-38(40)47-43)30-15-5-3-6-16-30;1-28-13-9-11-19-34(28)33-22-24-41-39(26-33)47-43-37(35-20-12-10-14-29(35)2)27-36(31-17-7-4-8-18-31)42-44(43)48(41,45)40-23-21-32(25-38(40)46-42)30-15-5-3-6-16-30;1-28-13-9-11-19-34(28)36-27-37(35-20-12-10-14-29(35)2)43-44-42(36)46-38-25-32(30-15-5-3-6-16-30)21-23-40(38)48(44,45)41-24-22-33(26-39(41)47-43)31-17-7-4-8-18-31/h3*3-27H,1-2H3
• InChIKey: KTUNNDONPRLDSY-UHFFFAOYSA-N
• XLogP: 32.47
• TPSA: 106.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1916.11
LogP ≤ 5	32.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide?

The IUPAC name of 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide (CID 159238777) is 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide.

What is the SMILES notation for 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide?

The canonical SMILES for 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide is Cc1ccccc1-c1cc(-c2ccccc2C)c2c3c1Oc1cc(-c4ccccc4)ccc1P3(=O)c1ccc(-c3ccccc3)cc1O2.Cc1ccccc1-c1ccc2c(c1)Oc1c(-c3ccccc3)cc(-c3ccccc3C)c3c1P2(=O)c1ccc(-c2ccccc2)cc1O3.Cc1ccccc1-c1ccc2c(c1)Oc1c(-c3ccccc3C)cc(-c3ccccc3)c3c1P2(=O)c1ccc(-c2ccccc2)cc1O3.

What is the InChIKey of 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide?

The InChIKey is KTUNNDONPRLDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H31O3P/c1-28-13-9-11-19-34(28)33-22-24-41-39(26-33)46-42-36(31-17-7-4-8-18-31)27-37(35-20-12-10-14-29(35)2)43-44(42)48(41,45)40-23-21-32(25-38(40)47-43)30-15-5-3-6-16-30;1-28-13-9-11-19-34(28)33-22-24-41-39(26-33)47-43-37(35-20-12-10-14-29(35)2)27-36(31-17-7-4-8-18-31)42-44(43)48(41,45)40-23-21-32(25-38(40)46-42)30-15-5-3-6-16-30;1-28-13-9-11-19-34(28)36-27-37(35-20-12-10-14-29(35)2)43-44-42(36)46-38-25-32(30-15-5-3-6-16-30)21-23-40(38)48(44,45)41-24-22-33(26-39(41)47-43)31-17-7-4-8-18-31/h3*3-27H,1-2H3.

What are the key properties of 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide?

5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide has a molecular weight of 1916.11 g/mol, XLogP of 32.47, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide is sourced from PubChem (CID 159238777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).