benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane

C99H138O6P4 — CID 158359447

About benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane

benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane (PubChem CID 158359447) has the molecular formula C99H138O6P4 and a molecular weight of 1548.08 g/mol. Its IUPAC name is benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane.

Molecular Properties

• Compound Name: benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane
• PubChem CID: 158359447
• Molecular Formula: C99H138O6P4
• Molecular Weight: 1548.08 g/mol
• Exact Mass: 1546.94
• IUPAC Name: benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane
• SMILES: C.C.C.C.CC(C)(C)c1cc(C(C)(C)C)c2op(OCCc3ccccc3CP(c3ccccc3)c3ccccc3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.CCC(CC(PCc1ccccc1)c1ccccc1)Op1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1
• InChI: InChI=1S/C49H60O3P2.C46H62O3P2.4CH4/c1-46(2,3)36-29-40-41-30-37(47(4,5)6)32-43(49(10,11)12)45(41)52-54(51-44(40)42(31-36)48(7,8)9)50-28-27-34-21-19-20-22-35(34)33-53(38-23-15-13-16-24-38)39-25-17-14-18-26-39;1-14-35(29-40(32-23-19-16-20-24-32)50-30-31-21-17-15-18-22-31)47-51-48-41-36(25-33(43(2,3)4)27-38(41)45(8,9)10)37-26-34(44(5,6)7)28-39(42(37)49-51)46(11,12)13;;;;/h13-26,29-32H,27-28,33H2,1-12H3;15-28,35,40,50H,14,29-30H2,1-13H3;4*1H4
• InChIKey: GTHBZQSLIQTJLQ-UHFFFAOYSA-N
• XLogP: 31.03
• TPSA: 71.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1548.08
LogP ≤ 5	31.03
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 benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane?

The IUPAC name of benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane (CID 158359447) is benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane.

What is the SMILES notation for benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane?

The canonical SMILES for benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane is C.C.C.C.CC(C)(C)c1cc(C(C)(C)C)c2op(OCCc3ccccc3CP(c3ccccc3)c3ccccc3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.CCC(CC(PCc1ccccc1)c1ccccc1)Op1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1.

What is the InChIKey of benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane?

The InChIKey is GTHBZQSLIQTJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H60O3P2.C46H62O3P2.4CH4/c1-46(2,3)36-29-40-41-30-37(47(4,5)6)32-43(49(10,11)12)45(41)52-54(51-44(40)42(31-36)48(7,8)9)50-28-27-34-21-19-20-22-35(34)33-53(38-23-15-13-16-24-38)39-25-17-14-18-26-39;1-14-35(29-40(32-23-19-16-20-24-32)50-30-31-21-17-15-18-22-31)47-51-48-41-36(25-33(43(2,3)4)27-38(41)45(8,9)10)37-26-34(44(5,6)7)28-39(42(37)49-51)46(11,12)13;;;;/h13-26,29-32H,27-28,33H2,1-12H3;15-28,35,40,50H,14,29-30H2,1-13H3;4*1H4.

What are the key properties of benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane?

benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane has a molecular weight of 1548.08 g/mol, XLogP of 31.03, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl-[1-phenyl-3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentyl]phosphane;diphenyl-[[2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]phenyl]methyl]phosphane;methane is sourced from PubChem (CID 158359447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).