6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane

C112H144O13P4Si4 — CID 158101643

About 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane

6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane (PubChem CID 158101643) has the molecular formula C112H144O13P4Si4 and a molecular weight of 1934.61 g/mol. Its IUPAC name is 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane
• PubChem CID: 158101643
• Molecular Formula: C112H144O13P4Si4
• Molecular Weight: 1934.61 g/mol
• Exact Mass: 1932.86
• IUPAC Name: 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane
• SMILES: CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1.COc1cccc2c1OP(Oc1c(-c3cc(C(C)(C)C)cc([Si](C)(C)C)c3Op3oc4c([Si](C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc([Si](C)(C)C)c4o3)cc(C(C)(C)C)cc1[Si](C)(C)C)OC2
• InChI: InChI=1S/C60H88O7P2Si4.C52H56O6P2/c1-57(2,3)39-29-43(53(48(33-39)70(14,15)16)64-68-62-37-38-27-26-28-47(61-13)52(38)63-68)44-30-40(58(4,5)6)34-49(71(17,18)19)54(44)65-69-66-55-45(31-41(59(7,8)9)35-50(55)72(20,21)22)46-32-42(60(10,11)12)36-51(56(46)67-69)73(23,24)25;1-49(2,3)33-29-39(47(41(31-33)51(7,8)9)57-59-53-43-25-17-13-21-35(43)36-22-14-18-26-44(36)54-59)40-30-34(50(4,5)6)32-42(52(10,11)12)48(40)58-60-55-45-27-19-15-23-37(45)38-24-16-20-28-46(38)56-60/h26-36H,37H2,1-25H3;13-32H,1-12H3
• InChIKey: FPIJNSYIYWHQOR-UHFFFAOYSA-N
• XLogP: 34.83
• TPSA: 143.45 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1934.61
LogP ≤ 5	34.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane?

The IUPAC name of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane (CID 158101643) is 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane.

What is the SMILES notation for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane?

The canonical SMILES for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1.COc1cccc2c1OP(Oc1c(-c3cc(C(C)(C)C)cc([Si](C)(C)C)c3Op3oc4c([Si](C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc([Si](C)(C)C)c4o3)cc(C(C)(C)C)cc1[Si](C)(C)C)OC2.

What is the InChIKey of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane?

The InChIKey is FPIJNSYIYWHQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H88O7P2Si4.C52H56O6P2/c1-57(2,3)39-29-43(53(48(33-39)70(14,15)16)64-68-62-37-38-27-26-28-47(61-13)52(38)63-68)44-30-40(58(4,5)6)34-49(71(17,18)19)54(44)65-69-66-55-45(31-41(59(7,8)9)35-50(55)72(20,21)22)46-32-42(60(10,11)12)36-51(56(46)67-69)73(23,24)25;1-49(2,3)33-29-39(47(41(31-33)51(7,8)9)57-59-53-43-25-17-13-21-35(43)36-22-14-18-26-44(36)54-59)40-30-34(50(4,5)6)32-42(52(10,11)12)48(40)58-60-55-45-27-19-15-23-37(45)38-24-16-20-28-46(38)56-60/h26-36H,37H2,1-25H3;13-32H,1-12H3.

What are the key properties of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane?

6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane has a molecular weight of 1934.61 g/mol, XLogP of 34.83, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-methoxy-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane is sourced from PubChem (CID 158101643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).