[4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane

C146H148O18P6 — CID 159620027

About [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane

[4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane (PubChem CID 159620027) has the molecular formula C146H148O18P6 and a molecular weight of 2376.62 g/mol. Its IUPAC name is [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane.

Molecular Properties

• Compound Name: [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane
• PubChem CID: 159620027
• Molecular Formula: C146H148O18P6
• Molecular Weight: 2376.62 g/mol
• Exact Mass: 2374.91
• IUPAC Name: [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane
• SMILES: CCOc1cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c(-c2c(P(c3cc(C)c(OC)c(C)c3)c3cc(C)c(OC)c(C)c3)cc(OCC)c3c2OCO3)c2c1OCO2.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc(C)c3c(c2-c2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)cc(C)c4c2OCO4)OCO3)c1.Cc1ccc(P(c2ccc(C)cc2)c2cc(C)c3c(c2-c2c(P(c4ccc(C)cc4)c4ccc(C)cc4)cc(C)c4c2OCO4)OCO3)cc1
• InChI: InChI=1S/C54H60O10P2.C48H48O4P2.C44H40O4P2/c1-15-59-41-25-43(65(37-17-29(3)47(55-11)30(4)18-37)38-19-31(5)48(56-12)32(6)20-38)45(53-51(41)61-27-63-53)46-44(26-42(60-16-2)52-54(46)64-28-62-52)66(39-21-33(7)49(57-13)34(8)22-39)40-23-35(9)50(58-14)36(10)24-40;1-27-11-28(2)16-37(15-27)53(38-17-29(3)12-30(4)18-38)41-23-35(9)45-47(51-25-49-45)43(41)44-42(24-36(10)46-48(44)52-26-50-46)54(39-19-31(5)13-32(6)20-39)40-21-33(7)14-34(8)22-40;1-27-7-15-33(16-8-27)49(34-17-9-28(2)10-18-34)37-23-31(5)41-43(47-25-45-41)39(37)40-38(24-32(6)42-44(40)48-26-46-42)50(35-19-11-29(3)12-20-35)36-21-13-30(4)14-22-36/h17-26H,15-16,27-28H2,1-14H3;11-24H,25-26H2,1-10H3;7-24H,25-26H2,1-6H3
• InChIKey: MNTXPKHWGZYHSD-UHFFFAOYSA-N
• XLogP: 27.22
• TPSA: 166.14 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2376.62
LogP ≤ 5	27.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane?

The IUPAC name of [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane (CID 159620027) is [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane.

What is the SMILES notation for [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane?

The canonical SMILES for [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane is CCOc1cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c(-c2c(P(c3cc(C)c(OC)c(C)c3)c3cc(C)c(OC)c(C)c3)cc(OCC)c3c2OCO3)c2c1OCO2.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc(C)c3c(c2-c2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)cc(C)c4c2OCO4)OCO3)c1.Cc1ccc(P(c2ccc(C)cc2)c2cc(C)c3c(c2-c2c(P(c4ccc(C)cc4)c4ccc(C)cc4)cc(C)c4c2OCO4)OCO3)cc1.

What is the InChIKey of [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane?

The InChIKey is MNTXPKHWGZYHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H60O10P2.C48H48O4P2.C44H40O4P2/c1-15-59-41-25-43(65(37-17-29(3)47(55-11)30(4)18-37)38-19-31(5)48(56-12)32(6)20-38)45(53-51(41)61-27-63-53)46-44(26-42(60-16-2)52-54(46)64-28-62-52)66(39-21-33(7)49(57-13)34(8)22-39)40-23-35(9)50(58-14)36(10)24-40;1-27-11-28(2)16-37(15-27)53(38-17-29(3)12-30(4)18-38)41-23-35(9)45-47(51-25-49-45)43(41)44-42(24-36(10)46-48(44)52-26-50-46)54(39-19-31(5)13-32(6)20-39)40-21-33(7)14-34(8)22-40;1-27-7-15-33(16-8-27)49(34-17-9-28(2)10-18-34)37-23-31(5)41-43(47-25-45-41)39(37)40-38(24-32(6)42-44(40)48-26-46-42)50(35-19-11-29(3)12-20-35)36-21-13-30(4)14-22-36/h17-26H,15-16,27-28H2,1-14H3;11-24H,25-26H2,1-10H3;7-24H,25-26H2,1-6H3.

What are the key properties of [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane?

[4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane has a molecular weight of 2376.62 g/mol, XLogP of 27.22, 29 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-bis(3,5-dimethylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-7-ethoxy-1,3-benzodioxol-4-yl]-7-ethoxy-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;[4-[5-bis(4-methylphenyl)phosphanyl-7-methyl-1,3-benzodioxol-4-yl]-7-methyl-1,3-benzodioxol-5-yl]-bis(4-methylphenyl)phosphane is sourced from PubChem (CID 159620027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).