[2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane

C44H67P — CID 134468917

IUPAC[2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane
SMILESCc1ccc(C(C)(C)C)cc1C(C)(C)C(PCc1ccc(C(C)(C)C)cc1C(C)(C)C)c1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C44H67P/c1-29-19-21-31(39(2,3)4)25-35(29)44(17,18)38(34-24-23-33(41(8,9)10)27-37(34)43(14,15)16)45-28-30-20-22-32(40(5,6)7)26-36(30)42(11,12)13/h19-27,38,45H,28H2,1-18H3
InChIKeyBYOVKSQYAXGXJN-UHFFFAOYSA-N
MW626.99 g/mol
LogP13.38
Rot. Bonds6

About [2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane

[2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane (PubChem CID 134468917) has the molecular formula C44H67P and a molecular weight of 626.99 g/mol. Its IUPAC name is [2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane.

Molecular Properties

Compound Name[2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane
PubChem CID134468917
Molecular FormulaC44H67P
Molecular Weight626.99 g/mol
Exact Mass626.50
IUPAC Name[2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane
SMILESCc1ccc(C(C)(C)C)cc1C(C)(C)C(PCc1ccc(C(C)(C)C)cc1C(C)(C)C)c1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C44H67P/c1-29-19-21-31(39(2,3)4)25-35(29)44(17,18)38(34-24-23-33(41(8,9)10)27-37(34)43(14,15)16)45-28-30-20-22-32(40(5,6)7)26-36(30)42(11,12)13/h19-27,38,45H,28H2,1-18H3
InChIKeyBYOVKSQYAXGXJN-UHFFFAOYSA-N
XLogP13.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.99
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-ditert-butyl-1-(dichloromethyl)benzene
CID 164523790
(2,4-ditert-butylphenyl)methanamine
CID 174492091
4-tert-butyl-2-(2-deuteriopropan-2-yl)-1-methylbenzene
CID 157217338
4-(2,4-ditert-butylphenyl)-3-[(2,4-ditert-butylphenyl)methyl]-2,2-bis(hydroxymethyl)butane-1,3-diol
CID 141440225
2-(2,4-ditert-butylphenyl)acetamide
CID 134462410
4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine
CID 83935321
bis(1-(2,4-ditert-butylphenyl)-2,2-bis(hydroxymethyl)propane-1,3-diol);dihydroxyphosphanyl dihydrogen phosphite
CID 158272519
1,2-ditert-butyl-4-[3-(2,4-ditert-butylphenyl)-2,2-difluoropropyl]benzene
CID 130313793
2,4-ditert-butyl-1-methylbenzene;1,7-ditert-butylnaphthalene
CID 158611419
4-tert-butyl-2-(chloromethyl)-1-methylbenzene
CID 524344
bis(5-tert-butyl-2-methylphenyl)phosphinous acid
CID 71196791
2-(2,4-ditert-butylphenyl)ethanesulfonic acid
CID 87653865

Frequently Asked Questions

What is the IUPAC name of [2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane?
The IUPAC name of [2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane (CID 134468917) is [2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane.
What is the SMILES notation for [2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane?
The canonical SMILES for [2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane is Cc1ccc(C(C)(C)C)cc1C(C)(C)C(PCc1ccc(C(C)(C)C)cc1C(C)(C)C)c1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of [2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane?
The InChIKey is BYOVKSQYAXGXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H67P/c1-29-19-21-31(39(2,3)4)25-35(29)44(17,18)38(34-24-23-33(41(8,9)10)27-37(34)43(14,15)16)45-28-30-20-22-32(40(5,6)7)26-36(30)42(11,12)13/h19-27,38,45H,28H2,1-18H3.
What are the key properties of [2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane?
[2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane has a molecular weight of 626.99 g/mol, XLogP of 13.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-tert-butyl-2-methylphenyl)-1-(2,4-ditert-butylphenyl)-2-methylpropyl]-[(2,4-ditert-butylphenyl)methyl]phosphane is sourced from PubChem (CID 134468917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).