10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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

C84H52O6P2 — CID 146325130

About 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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

10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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 (PubChem CID 146325130) has the molecular formula C84H52O6P2 and a molecular weight of 1219.28 g/mol. Its IUPAC name is 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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.

Molecular Properties

• Compound Name: 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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
• PubChem CID: 146325130
• Molecular Formula: C84H52O6P2
• Molecular Weight: 1219.28 g/mol
• Exact Mass: 1218.32
• IUPAC Name: 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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
• SMILES: O=P12c3ccc(-c4ccccc4)cc3Oc3c(-c4ccccc4)cc(-c4ccccc4)c(c31)Oc1cc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)c6c7c5Oc5ccc(-c8ccccc8)cc5P7(=O)c5cc(-c7ccccc7)ccc5O6)c4)c3)ccc12
• InChI: InChI=1S/C84H52O6P2/c85-91-75-43-39-62(53-21-7-1-8-22-53)47-73(75)89-80-67(56-27-13-4-14-28-56)51-68(57-29-15-5-16-30-57)81(83(80)91)90-74-48-63(40-44-76(74)91)60-34-19-33-59(45-60)61-35-20-36-66(46-61)70-52-69(58-31-17-6-18-32-58)79-84-82(70)88-72-42-38-65(55-25-11-3-12-26-55)50-78(72)92(84,86)77-49-64(37-41-71(77)87-79)54-23-9-2-10-24-54/h1-52H
• InChIKey: JNYIAGSBXAOIEE-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.28
LogP ≤ 5	20.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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?

The IUPAC name of 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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 (CID 146325130) is 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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.

What is the SMILES notation for 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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?

The canonical SMILES for 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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 is O=P12c3ccc(-c4ccccc4)cc3Oc3c(-c4ccccc4)cc(-c4ccccc4)c(c31)Oc1cc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)c6c7c5Oc5ccc(-c8ccccc8)cc5P7(=O)c5cc(-c7ccccc7)ccc5O6)c4)c3)ccc12.

What is the InChIKey of 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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?

The InChIKey is JNYIAGSBXAOIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52O6P2/c85-91-75-43-39-62(53-21-7-1-8-22-53)47-73(75)89-80-67(56-27-13-4-14-28-56)51-68(57-29-15-5-16-30-57)81(83(80)91)90-74-48-63(40-44-76(74)91)60-34-19-33-59(45-60)61-35-20-36-66(46-61)70-52-69(58-31-17-6-18-32-58)79-84-82(70)88-72-42-38-65(55-25-11-3-12-26-55)50-78(72)92(84,86)77-49-64(37-41-71(77)87-79)54-23-9-2-10-24-54/h1-52H.

What are the key properties of 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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?

10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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 has a molecular weight of 1219.28 g/mol, XLogP of 20.39, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[3-(1-oxo-10,12,17-triphenyl-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-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-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 is sourced from PubChem (CID 146325130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).