[2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane

C32H50OP2 — CID 135083263

IUPAC[2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
SMILESCCC(C)c1cccc(C(C)CC)c1O/P=P/c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C32H50OP2/c1-14-21(3)24-17-16-18-25(22(4)15-2)28(24)33-35-34-29-26(31(8,9)10)19-23(30(5,6)7)20-27(29)32(11,12)13/h16-22H,14-15H2,1-13H3
InChIKeyYGYLVCUNCIZNCT-UHFFFAOYSA-N
MW512.70 g/mol
LogP11.03
Rot. Bonds7

About [2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane

[2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane (PubChem CID 135083263) has the molecular formula C32H50OP2 and a molecular weight of 512.70 g/mol. Its IUPAC name is [2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane.

Molecular Properties

Compound Name[2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
PubChem CID135083263
Molecular FormulaC32H50OP2
Molecular Weight512.70 g/mol
Exact Mass512.33
IUPAC Name[2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
SMILESCCC(C)c1cccc(C(C)CC)c1O/P=P/c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C32H50OP2/c1-14-21(3)24-17-16-18-25(22(4)15-2)28(24)33-35-34-29-26(31(8,9)10)19-23(30(5,6)7)20-27(29)32(11,12)13/h16-22H,14-15H2,1-13H3
InChIKeyYGYLVCUNCIZNCT-UHFFFAOYSA-N
XLogP11.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 13086218
2-butan-2-yl-5-tert-butyl-4-chlorophenol
CID 118092252
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite
CID 167641823
(2-butan-2-yl-6-propan-2-ylphenyl) acetate
CID 172616842
(5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate
CID 58078988
tris(2,4-ditert-butyl-6-methylphenoxy)-ethylphosphanium
CID 161122899
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
CID 15803042
3-tert-butyl-5-pentan-2-ylquinoline
CID 130267605
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene
CID 118911595
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490

Frequently Asked Questions

What is the IUPAC name of [2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane?
The IUPAC name of [2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane (CID 135083263) is [2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane.
What is the SMILES notation for [2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane?
The canonical SMILES for [2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane is CCC(C)c1cccc(C(C)CC)c1O/P=P/c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of [2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane?
The InChIKey is YGYLVCUNCIZNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50OP2/c1-14-21(3)24-17-16-18-25(22(4)15-2)28(24)33-35-34-29-26(31(8,9)10)19-23(30(5,6)7)20-27(29)32(11,12)13/h16-22H,14-15H2,1-13H3.
What are the key properties of [2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane?
[2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane has a molecular weight of 512.70 g/mol, XLogP of 11.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane is sourced from PubChem (CID 135083263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).