tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine

C116H171Cl2NO12P2 — CID 159442749

About tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine

tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine (PubChem CID 159442749) has the molecular formula C116H171Cl2NO12P2 and a molecular weight of 1904.49 g/mol. Its IUPAC name is tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine.

Molecular Properties

• Compound Name: tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine
• PubChem CID: 159442749
• Molecular Formula: C116H171Cl2NO12P2
• Molecular Weight: 1904.49 g/mol
• Exact Mass: 1902.17
• IUPAC Name: tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine
• SMILES: CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CCN(CC)CC.Cc1cc(-c2cc(C)cc(C(C)(C)C)c2OP(Cl)Cl)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1.Cc1cc(-c2cc(C)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1
• InChI: InChI=1S/C55H77O6P.C28H42O2.C27H37Cl2O4P.C6H15N/c1-32-24-36(44(40(26-32)51(9,10)11)57-48(56)58-55(21,22)23)37-25-33(2)27-41(52(12,13)14)45(37)59-62-60-46-38(28-34(49(3,4)5)30-42(46)53(15,16)17)39-29-35(50(6,7)8)31-43(47(39)61-62)54(18,19)20;1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12;1-16-12-18(19-13-17(2)15-21(26(6,7)8)23(19)33-34(28)29)22(20(14-16)25(3,4)5)31-24(30)32-27(9,10)11;1-4-7(5-2)6-3/h24-31H,1-23H3;13-16,29-30H,1-12H3;12-15H,1-11H3;4-6H2,1-3H3
• InChIKey: LSJMPXQEDXXRQH-UHFFFAOYSA-N
• XLogP: 36.78
• TPSA: 159.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1904.49
LogP ≤ 5	36.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine?

The IUPAC name of tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine (CID 159442749) is tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine.

What is the SMILES notation for tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine?

The canonical SMILES for tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CCN(CC)CC.Cc1cc(-c2cc(C)cc(C(C)(C)C)c2OP(Cl)Cl)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1.Cc1cc(-c2cc(C)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1.

What is the InChIKey of tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine?

The InChIKey is LSJMPXQEDXXRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H77O6P.C28H42O2.C27H37Cl2O4P.C6H15N/c1-32-24-36(44(40(26-32)51(9,10)11)57-48(56)58-55(21,22)23)37-25-33(2)27-41(52(12,13)14)45(37)59-62-60-46-38(28-34(49(3,4)5)30-42(46)53(15,16)17)39-29-35(50(6,7)8)31-43(47(39)61-62)54(18,19)20;1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12;1-16-12-18(19-13-17(2)15-21(26(6,7)8)23(19)33-34(28)29)22(20(14-16)25(3,4)5)31-24(30)32-27(9,10)11;1-4-7(5-2)6-3/h24-31H,1-23H3;13-16,29-30H,1-12H3;12-15H,1-11H3;4-6H2,1-3H3.

What are the key properties of tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine?

tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine has a molecular weight of 1904.49 g/mol, XLogP of 36.78, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine is sourced from PubChem (CID 159442749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).