diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane

C48H53O4P — CID 163418904

About diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane

diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane (PubChem CID 163418904) has the molecular formula C48H53O4P and a molecular weight of 724.92 g/mol. Its IUPAC name is diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane.

Molecular Properties

• Compound Name: diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane
• PubChem CID: 163418904
• Molecular Formula: C48H53O4P
• Molecular Weight: 724.92 g/mol
• Exact Mass: 724.37
• IUPAC Name: diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane
• SMILES: CCP(CC)c1cc2c3c(c4c(c2cc1OC)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C4)C1(CC(C)(C)CC(C)(C)C1)c1ccccc1-3
• InChI: InChI=1S/C48H53O4P/c1-10-53(11-2)41-27-37-38(26-40(41)51-9)44-36(43-42(37)35-14-12-13-15-39(35)47(43)29-45(3,4)28-46(5,6)30-47)24-25-48(52-44,31-16-20-33(49-7)21-17-31)32-18-22-34(50-8)23-19-32/h12-27H,10-11,28-30H2,1-9H3
• InChIKey: AGTSKDORHMDZJF-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.92
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane?

The IUPAC name of diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane (CID 163418904) is diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane.

What is the SMILES notation for diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane?

The canonical SMILES for diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane is CCP(CC)c1cc2c3c(c4c(c2cc1OC)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C4)C1(CC(C)(C)CC(C)(C)C1)c1ccccc1-3.

What is the InChIKey of diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane?

The InChIKey is AGTSKDORHMDZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H53O4P/c1-10-53(11-2)41-27-37-38(26-40(41)51-9)44-36(43-42(37)35-14-12-13-15-39(35)47(43)29-45(3,4)28-46(5,6)30-47)24-25-48(52-44,31-16-20-33(49-7)21-17-31)32-18-22-34(50-8)23-19-32/h12-27H,10-11,28-30H2,1-9H3.

What are the key properties of diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane?

diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane has a molecular weight of 724.92 g/mol, XLogP of 11.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl-[10-methoxy-5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-yl]phosphane is sourced from PubChem (CID 163418904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).