bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane

C72H102O4P2 — CID 91487722

IUPACbis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
SMILESCc1cc(OP(C)Oc2cc(C)c(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)cc1C(C)(C)C.Cc1cc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C41H53O2P.C31H49O2P/c1-28-25-37(35(41(11,12)13)27-33(28)39(5,6)7)43-44(32-22-19-30(20-23-32)29-17-15-14-16-18-29)42-36-24-21-31(38(2,3)4)26-34(36)40(8,9)10;1-20-16-26(24(30(9,10)11)18-22(20)28(3,4)5)32-34(15)33-27-17-21(2)23(29(6,7)8)19-25(27)31(12,13)14/h14-27H,1-13H3;16-19H,1-15H3
InChIKeyGDUFZVQQRHNLAL-UHFFFAOYSA-N
MW1093.55 g/mol
LogP21.84
Rot. Bonds10

About bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane

bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane (PubChem CID 91487722) has the molecular formula C72H102O4P2 and a molecular weight of 1093.55 g/mol. Its IUPAC name is bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane.

Molecular Properties

Compound Namebis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
PubChem CID91487722
Molecular FormulaC72H102O4P2
Molecular Weight1093.55 g/mol
Exact Mass1092.73
IUPAC Namebis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
SMILESCc1cc(OP(C)Oc2cc(C)c(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)cc1C(C)(C)C.Cc1cc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C41H53O2P.C31H49O2P/c1-28-25-37(35(41(11,12)13)27-33(28)39(5,6)7)43-44(32-22-19-30(20-23-32)29-17-15-14-16-18-29)42-36-24-21-31(38(2,3)4)26-34(36)40(8,9)10;1-20-16-26(24(30(9,10)11)18-22(20)28(3,4)5)32-34(15)33-27-17-21(2)23(29(6,7)8)19-25(27)31(12,13)14/h14-27H,1-13H3;16-19H,1-15H3
InChIKeyGDUFZVQQRHNLAL-UHFFFAOYSA-N
XLogP21.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.55
LogP ≤ 521.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-ditert-butyl-5-methylphenoxy)-phenylphosphane
CID 58892302
[3-[4-bis(2,4-ditert-butyl-5-methylphenoxy)phosphanylphenyl]phenyl]-bis(2,4-ditert-butyl-5-methylphenoxy)phosphane
CID 141255569
(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
CID 134479186
[4-[4-[bis(2,4-ditert-butylphenoxy)phosphanylmethyl]phenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
CID 134339602
(4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane
CID 122596264
[4-[4-bis(5-tert-butyl-2,3-dimethylphenoxy)phosphanylphenyl]phenyl]-bis(5-tert-butyl-2,3-dimethylphenoxy)phosphane
CID 141246742
bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
CID 54542176
[4-[4-bis(2,4-ditert-butylphenoxy)phosphanylphenyl]phenyl]-(4,6-ditert-butyl-3-methylcyclohexa-1,5-dien-1-yl)oxy-(2,4-ditert-butylphenoxy)phosphane
CID 143570123
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
1,5-ditert-butyl-2-[(2,4-ditert-butyl-5-methylphenoxy)-(4-phenylphenyl)phosphoryl]oxy-4-methylbenzene
CID 59197330
bis(2,4-ditert-butylphenoxy)-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phosphane
CID 167052856
(2,4-ditert-butylphenoxy)-[2-[1-[(2,4-ditert-butylphenoxy)-phenylphosphanyl]oxy-3,5-dimethylcyclohexa-2,4-dien-1-yl]-4,6-dimethylphenoxy]-phenylphosphane
CID 142265890

Frequently Asked Questions

What is the IUPAC name of bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane?
The IUPAC name of bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane (CID 91487722) is bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane.
What is the SMILES notation for bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane?
The canonical SMILES for bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane is Cc1cc(OP(C)Oc2cc(C)c(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)cc1C(C)(C)C.Cc1cc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane?
The InChIKey is GDUFZVQQRHNLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H53O2P.C31H49O2P/c1-28-25-37(35(41(11,12)13)27-33(28)39(5,6)7)43-44(32-22-19-30(20-23-32)29-17-15-14-16-18-29)42-36-24-21-31(38(2,3)4)26-34(36)40(8,9)10;1-20-16-26(24(30(9,10)11)18-22(20)28(3,4)5)32-34(15)33-27-17-21(2)23(29(6,7)8)19-25(27)31(12,13)14/h14-27H,1-13H3;16-19H,1-15H3.
What are the key properties of bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane?
bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane has a molecular weight of 1093.55 g/mol, XLogP of 21.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane is sourced from PubChem (CID 91487722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).