2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one

C67H86O11P2 — CID 101114099

About 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one

2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one (PubChem CID 101114099) has the molecular formula C67H86O11P2 and a molecular weight of 1129.36 g/mol. Its IUPAC name is 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one.

Molecular Properties

• Compound Name: 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one
• PubChem CID: 101114099
• Molecular Formula: C67H86O11P2
• Molecular Weight: 1129.36 g/mol
• Exact Mass: 1128.56
• IUPAC Name: 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one
• SMILES: CC(C)(C)Oc1cc(-c2cc(OC(C)(C)C)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC(C)(C)C)cc3c3cc(OC(C)(C)C)cc(C(C)(C)C)c3o2)c(OP2OC(=O)c3cc4ccccc4cc3O2)c(C(C)(C)C)c1
• InChI: InChI=1S/C67H86O11P2/c1-60(2,3)50-35-41(69-64(13,14)15)31-45(55(50)74-79-73-54-30-40-28-26-25-27-39(40)29-49(54)59(68)78-79)46-32-42(70-65(16,17)18)36-51(61(4,5)6)56(46)75-80-76-57-47(33-43(71-66(19,20)21)37-52(57)62(7,8)9)48-34-44(72-67(22,23)24)38-53(58(48)77-80)63(10,11)12/h25-38H,1-24H3
• InChIKey: GYPAIQCQJTWRGC-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 117.19 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1129.36
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one?

The IUPAC name of 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one (CID 101114099) is 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one.

What is the SMILES notation for 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one?

The canonical SMILES for 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one is CC(C)(C)Oc1cc(-c2cc(OC(C)(C)C)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC(C)(C)C)cc3c3cc(OC(C)(C)C)cc(C(C)(C)C)c3o2)c(OP2OC(=O)c3cc4ccccc4cc3O2)c(C(C)(C)C)c1.

What is the InChIKey of 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one?

The InChIKey is GYPAIQCQJTWRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H86O11P2/c1-60(2,3)50-35-41(69-64(13,14)15)31-45(55(50)74-79-73-54-30-40-28-26-25-27-39(40)29-49(54)59(68)78-79)46-32-42(70-65(16,17)18)36-51(61(4,5)6)56(46)75-80-76-57-47(33-43(71-66(19,20)21)37-52(57)62(7,8)9)48-34-44(72-67(22,23)24)38-53(58(48)77-80)63(10,11)12/h25-38H,1-24H3.

What are the key properties of 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one?

2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one has a molecular weight of 1129.36 g/mol, XLogP of 20.71, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-tert-butyl-6-[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis[(2-methylpropan-2-yl)oxy]benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-[(2-methylpropan-2-yl)oxy]phenoxy]benzo[g][1,3,2]benzodioxaphosphinin-4-one is sourced from PubChem (CID 101114099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).