[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane

C54H70O9P2 — CID 89382870

IUPAC[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OPC(C)(C)Oc2ccccc2C)c(C(C)(C)C)c1
InChIInChI=1S/C54H70O9P2/c1-32-22-20-21-23-45(32)59-54(14,15)64-60-46-37(24-33(55-16)28-41(46)50(2,3)4)38-25-34(56-17)29-42(51(5,6)7)47(38)61-65-62-48-39(26-35(57-18)30-43(48)52(8,9)10)40-27-36(58-19)31-44(49(40)63-65)53(11,12)13/h20-31,64H,1-19H3
InChIKeyQUKJNZDQLNXNMQ-UHFFFAOYSA-N
MW925.09 g/mol
LogP16.12
Rot. Bonds12

About [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane

[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane (PubChem CID 89382870) has the molecular formula C54H70O9P2 and a molecular weight of 925.09 g/mol. Its IUPAC name is [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane.

Molecular Properties

Compound Name[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane
PubChem CID89382870
Molecular FormulaC54H70O9P2
Molecular Weight925.09 g/mol
Exact Mass924.45
IUPAC Name[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OPC(C)(C)Oc2ccccc2C)c(C(C)(C)C)c1
InChIInChI=1S/C54H70O9P2/c1-32-22-20-21-23-45(32)59-54(14,15)64-60-46-37(24-33(55-16)28-41(46)50(2,3)4)38-25-34(56-17)29-42(51(5,6)7)47(38)61-65-62-48-39(26-35(57-18)30-43(48)52(8,9)10)40-27-36(58-19)31-44(49(40)63-65)53(11,12)13/h20-31,64H,1-19H3
InChIKeyQUKJNZDQLNXNMQ-UHFFFAOYSA-N
XLogP16.12
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.09
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane?
The IUPAC name of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane (CID 89382870) is [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane.
What is the SMILES notation for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane?
The canonical SMILES for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane is COc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OPC(C)(C)Oc2ccccc2C)c(C(C)(C)C)c1.
What is the InChIKey of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane?
The InChIKey is QUKJNZDQLNXNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H70O9P2/c1-32-22-20-21-23-45(32)59-54(14,15)64-60-46-37(24-33(55-16)28-41(46)50(2,3)4)38-25-34(56-17)29-42(51(5,6)7)47(38)61-65-62-48-39(26-35(57-18)30-43(48)52(8,9)10)40-27-36(58-19)31-44(49(40)63-65)53(11,12)13/h20-31,64H,1-19H3.
What are the key properties of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane?
[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane has a molecular weight of 925.09 g/mol, XLogP of 16.12, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane is sourced from PubChem (CID 89382870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).