7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

C58H35O3P — CID 122629588

About 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (PubChem CID 122629588) has the molecular formula C58H35O3P and a molecular weight of 810.89 g/mol. Its IUPAC name is 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.

Molecular Properties

• Compound Name: 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
• PubChem CID: 122629588
• Molecular Formula: C58H35O3P
• Molecular Weight: 810.89 g/mol
• Exact Mass: 810.23
• IUPAC Name: 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
• SMILES: O=P(c1ccccc1)(c1ccc2oc3ccc(-c4ccccc4)c4cccc(c5cccc1c25)c34)c1ccc2oc3ccc(-c4ccccc4)c4cccc(c5cccc1c25)c34
• InChI: InChI=1S/C58H35O3P/c59-62(38-18-8-3-9-19-38,53-34-32-51-57-45(24-12-26-47(53)57)43-22-10-20-41-39(36-14-4-1-5-15-36)28-30-49(60-51)55(41)43)54-35-33-52-58-46(25-13-27-48(54)58)44-23-11-21-42-40(37-16-6-2-7-17-37)29-31-50(61-52)56(42)44/h1-35H
• InChIKey: NGMKSOXQOHPGHG-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 43.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.89
LogP ≤ 5	15.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

The IUPAC name of 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (CID 122629588) is 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.

What is the SMILES notation for 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

The canonical SMILES for 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is O=P(c1ccccc1)(c1ccc2oc3ccc(-c4ccccc4)c4cccc(c5cccc1c25)c34)c1ccc2oc3ccc(-c4ccccc4)c4cccc(c5cccc1c25)c34.

What is the InChIKey of 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

The InChIKey is NGMKSOXQOHPGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35O3P/c59-62(38-18-8-3-9-19-38,53-34-32-51-57-45(24-12-26-47(53)57)43-22-10-20-41-39(36-14-4-1-5-15-36)28-30-49(60-51)55(41)43)54-35-33-52-58-46(25-13-27-48(54)58)44-23-11-21-42-40(37-16-6-2-7-17-37)29-31-50(61-52)56(42)44/h1-35H.

What are the key properties of 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene has a molecular weight of 810.89 g/mol, XLogP of 15.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is sourced from PubChem (CID 122629588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).