(4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene

C64H68O6P2 — CID 91014990

About (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene

(4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene (PubChem CID 91014990) has the molecular formula C64H68O6P2 and a molecular weight of 995.19 g/mol. Its IUPAC name is (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene.

Molecular Properties

• Compound Name: (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene
• PubChem CID: 91014990
• Molecular Formula: C64H68O6P2
• Molecular Weight: 995.19 g/mol
• Exact Mass: 994.45
• IUPAC Name: (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene
• SMILES: COc1c(C)cc(C)cc1-c1cc(C)cc(C)c1OC.COc1c(C)cc(C)cc1-c1cc(C)cc(C)c1OPc1c(-c2ccccc2)ccc2c1-c1c(ccc(-c3ccccc3)c1P)OCCCCCO2
• InChI: InChI=1S/C46H46O4P2.C18H22O2/c1-29-25-31(3)43(47-5)37(27-29)38-28-30(2)26-32(4)44(38)50-52-46-36(34-17-11-7-12-18-34)20-22-40-42(46)41-39(48-23-13-8-14-24-49-40)21-19-35(45(41)51)33-15-9-6-10-16-33;1-11-7-13(3)17(19-5)15(9-11)16-10-12(2)8-14(4)18(16)20-6/h6-7,9-12,15-22,25-28,52H,8,13-14,23-24,51H2,1-5H3;7-10H,1-6H3
• InChIKey: HYRXRXJNGLKIFV-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.19
LogP ≤ 5	15.94
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 (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene?

The IUPAC name of (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene (CID 91014990) is (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene.

What is the SMILES notation for (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene?

The canonical SMILES for (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene is COc1c(C)cc(C)cc1-c1cc(C)cc(C)c1OC.COc1c(C)cc(C)cc1-c1cc(C)cc(C)c1OPc1c(-c2ccccc2)ccc2c1-c1c(ccc(-c3ccccc3)c1P)OCCCCCO2.

What is the InChIKey of (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene?

The InChIKey is HYRXRXJNGLKIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46O4P2.C18H22O2/c1-29-25-31(3)43(47-5)37(27-29)38-28-30(2)26-32(4)44(38)50-52-46-36(34-17-11-7-12-18-34)20-22-40-42(46)41-39(48-23-13-8-14-24-49-40)21-19-35(45(41)51)33-15-9-6-10-16-33;1-11-7-13(3)17(19-5)15(9-11)16-10-12(2)8-14(4)18(16)20-6/h6-7,9-12,15-22,25-28,52H,8,13-14,23-24,51H2,1-5H3;7-10H,1-6H3.

What are the key properties of (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene?

(4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene has a molecular weight of 995.19 g/mol, XLogP of 15.94, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4,18-diphenyl-19-phosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-[2-(2-methoxy-3,5-dimethylphenyl)-4,6-dimethylphenoxy]phosphane;2-methoxy-1-(2-methoxy-3,5-dimethylphenyl)-3,5-dimethylbenzene is sourced from PubChem (CID 91014990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).