[6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane

C34H42N2O6P2 — CID 20688099

IUPAC[6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane
SMILESCOc1cc(C(C)(C)C)c(OPOc2ccncc2)c(-c2c(C)c(OC)cc(C(C)(C)C)c2OPOc2ccncc2)c1C
InChIInChI=1S/C34H42N2O6P2/c1-21-27(37-9)19-25(33(3,4)5)31(41-43-39-23-11-15-35-16-12-23)29(21)30-22(2)28(38-10)20-26(34(6,7)8)32(30)42-44-40-24-13-17-36-18-14-24/h11-20,43-44H,1-10H3
InChIKeyCPTPQEXXALPMES-UHFFFAOYSA-N
MW636.67 g/mol
LogP9.31
Rot. Bonds11

About [6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane

[6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane (PubChem CID 20688099) has the molecular formula C34H42N2O6P2 and a molecular weight of 636.67 g/mol. Its IUPAC name is [6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane.

Molecular Properties

Compound Name[6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane
PubChem CID20688099
Molecular FormulaC34H42N2O6P2
Molecular Weight636.67 g/mol
Exact Mass636.25
IUPAC Name[6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane
SMILESCOc1cc(C(C)(C)C)c(OPOc2ccncc2)c(-c2c(C)c(OC)cc(C(C)(C)C)c2OPOc2ccncc2)c1C
InChIInChI=1S/C34H42N2O6P2/c1-21-27(37-9)19-25(33(3,4)5)31(41-43-39-23-11-15-35-16-12-23)29(21)30-22(2)28(38-10)20-26(34(6,7)8)32(30)42-44-40-24-13-17-36-18-14-24/h11-20,43-44H,1-10H3
InChIKeyCPTPQEXXALPMES-UHFFFAOYSA-N
XLogP9.31
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.67
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane?
The IUPAC name of [6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane (CID 20688099) is [6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane.
What is the SMILES notation for [6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane?
The canonical SMILES for [6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane is COc1cc(C(C)(C)C)c(OPOc2ccncc2)c(-c2c(C)c(OC)cc(C(C)(C)C)c2OPOc2ccncc2)c1C.
What is the InChIKey of [6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane?
The InChIKey is CPTPQEXXALPMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2O6P2/c1-21-27(37-9)19-25(33(3,4)5)31(41-43-39-23-11-15-35-16-12-23)29(21)30-22(2)28(38-10)20-26(34(6,7)8)32(30)42-44-40-24-13-17-36-18-14-24/h11-20,43-44H,1-10H3.
What are the key properties of [6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane?
[6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane has a molecular weight of 636.67 g/mol, XLogP of 9.31, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane is sourced from PubChem (CID 20688099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).