[3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane

C44H62N2O4P2 — CID 21130806

IUPAC[3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane
SMILESCCC(C)(C)c1cc(C(C)(C)CC)c(OPOc2cccnc2)c(-c2c(C)c(C(C)(C)CC)cc(C(C)(C)CC)c2OPOc2cccnc2)c1C
InChIInChI=1S/C44H62N2O4P2/c1-15-41(7,8)33-25-35(43(11,12)17-3)39(49-51-47-31-21-19-23-45-27-31)37(29(33)5)38-30(6)34(42(9,10)16-2)26-36(44(13,14)18-4)40(38)50-52-48-32-22-20-24-46-28-32/h19-28,51-52H,15-18H2,1-14H3
InChIKeyRSNGUCJBMJOLSQ-UHFFFAOYSA-N
MW744.94 g/mol
LogP13.44
Rot. Bonds17

About [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane

[3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane (PubChem CID 21130806) has the molecular formula C44H62N2O4P2 and a molecular weight of 744.94 g/mol. Its IUPAC name is [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane.

Molecular Properties

Compound Name[3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane
PubChem CID21130806
Molecular FormulaC44H62N2O4P2
Molecular Weight744.94 g/mol
Exact Mass744.42
IUPAC Name[3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane
SMILESCCC(C)(C)c1cc(C(C)(C)CC)c(OPOc2cccnc2)c(-c2c(C)c(C(C)(C)CC)cc(C(C)(C)CC)c2OPOc2cccnc2)c1C
InChIInChI=1S/C44H62N2O4P2/c1-15-41(7,8)33-25-35(43(11,12)17-3)39(49-51-47-31-21-19-23-45-27-31)37(29(33)5)38-30(6)34(42(9,10)16-2)26-36(44(13,14)18-4)40(38)50-52-48-32-22-20-24-46-28-32/h19-28,51-52H,15-18H2,1-14H3
InChIKeyRSNGUCJBMJOLSQ-UHFFFAOYSA-N
XLogP13.44
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.94
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane with MolForge

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Launch Full Analysis

Related Compounds

13-Hydroxy-10,16-dipyridin-3-yl-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 146294472
4,4,6,6-Tetrapyridin-3-yloxyspiro[1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,6'-benzo[d][1,3,2]benzodioxaphosphepine]
CID 102199832
CID 102199833
CID 102199833
NiNR2 + DBP
CID 139170302
CID 139241320
CID 139241320
[4,6-Ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-pyridin-3-yloxyphosphanyloxyphenyl)-3-methylphenoxy]-pyridin-3-yloxyphosphane
CID 20688092
[4,6-Ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-quinolin-8-yloxyphosphanyloxyphenyl)-3-methylphenoxy]-quinolin-8-yloxyphosphane
CID 20688094
[6-Tert-butyl-2-(5-tert-butyl-3-methoxy-2-methyl-6-pyridin-4-yloxyphosphanyloxyphenyl)-4-methoxy-3-methylphenoxy]-pyridin-4-yloxyphosphane
CID 20688099
[4,6-Ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-quinolin-6-yloxyphosphanyloxyphenyl)-3-methylphenoxy]-quinolin-6-yloxyphosphane
CID 21130840
[2,4-Ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane
CID 21130844
[2-Tert-butyl-6-(3-tert-butyl-5-methyl-2-pyridin-4-yloxyphosphanyloxyphenyl)-4-methylphenoxy]-pyridin-4-yloxyphosphane
CID 21130857
[2,4-Ditert-butyl-6-(3,5-ditert-butyl-2-quinolin-6-yloxyphosphanyloxyphenyl)phenoxy]-quinolin-6-yloxyphosphane
CID 21130863

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane?
The IUPAC name of [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane (CID 21130806) is [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane.
What is the SMILES notation for [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane?
The canonical SMILES for [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane is CCC(C)(C)c1cc(C(C)(C)CC)c(OPOc2cccnc2)c(-c2c(C)c(C(C)(C)CC)cc(C(C)(C)CC)c2OPOc2cccnc2)c1C.
What is the InChIKey of [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane?
The InChIKey is RSNGUCJBMJOLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H62N2O4P2/c1-15-41(7,8)33-25-35(43(11,12)17-3)39(49-51-47-31-21-19-23-45-27-31)37(29(33)5)38-30(6)34(42(9,10)16-2)26-36(44(13,14)18-4)40(38)50-52-48-32-22-20-24-46-28-32/h19-28,51-52H,15-18H2,1-14H3.
What are the key properties of [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane?
[3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane has a molecular weight of 744.94 g/mol, XLogP of 13.44, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-pyridin-3-yloxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-pyridin-3-yloxyphosphane is sourced from PubChem (CID 21130806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).