tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane

C58H65OP — CID 140524404

IUPACtetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane
SMILESCC(C)(C)c1ccc(P(Oc2cccc(-c3ccccc3)c2-c2ccccc2)(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C58H65OP/c1-55(2,3)44-26-34-48(35-27-44)60(49-36-28-45(29-37-49)56(4,5)6,50-38-30-46(31-39-50)57(7,8)9,51-40-32-47(33-41-51)58(10,11)12)59-53-25-19-24-52(42-20-15-13-16-21-42)54(53)43-22-17-14-18-23-43/h13-41H,1-12H3
InChIKeyNXUCLGBDYHFDPZ-UHFFFAOYSA-N
MW809.13 g/mol
LogP14.36
Rot. Bonds8

About tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane

tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane (PubChem CID 140524404) has the molecular formula C58H65OP and a molecular weight of 809.13 g/mol. Its IUPAC name is tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane.

Molecular Properties

Compound Nametetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane
PubChem CID140524404
Molecular FormulaC58H65OP
Molecular Weight809.13 g/mol
Exact Mass808.48
IUPAC Nametetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane
SMILESCC(C)(C)c1ccc(P(Oc2cccc(-c3ccccc3)c2-c2ccccc2)(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C58H65OP/c1-55(2,3)44-26-34-48(35-27-44)60(49-36-28-45(29-37-49)56(4,5)6,50-38-30-46(31-39-50)57(7,8)9,51-40-32-47(33-41-51)58(10,11)12)59-53-25-19-24-52(42-20-15-13-16-21-42)54(53)43-22-17-14-18-23-43/h13-41H,1-12H3
InChIKeyNXUCLGBDYHFDPZ-UHFFFAOYSA-N
XLogP14.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.13
LogP ≤ 514.36
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

[2,3-bis(4-tert-butylphenyl)phenyl] diphenyl phosphate
CID 175194897
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
CID 87643129
CID 87643129
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
CID 164755528
1-(chloromethoxy)-2,3-diphenylbenzene
CID 89147596
1-bromo-2,3-bis(4-tert-butylphenyl)benzene
CID 141112588
6-tert-butyl-1-(2,3,4,5-tetraphenylphenyl)azulene
CID 12023823
2-(2,4-ditert-butylphenyl)-1-phenyl-3-phosphorosooxybenzene
CID 150828004
2-(2,3-diphenylphenoxy)phenol
CID 66866690
[2-(2,4-ditert-butylphenyl)-3-phenylphenoxy]-oxophosphanium
CID 150828003
2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine
CID 5013068
1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
CID 173271826

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane?
The IUPAC name of tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane (CID 140524404) is tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane.
What is the SMILES notation for tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane?
The canonical SMILES for tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane is CC(C)(C)c1ccc(P(Oc2cccc(-c3ccccc3)c2-c2ccccc2)(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane?
The InChIKey is NXUCLGBDYHFDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H65OP/c1-55(2,3)44-26-34-48(35-27-44)60(49-36-28-45(29-37-49)56(4,5)6,50-38-30-46(31-39-50)57(7,8)9,51-40-32-47(33-41-51)58(10,11)12)59-53-25-19-24-52(42-20-15-13-16-21-42)54(53)43-22-17-14-18-23-43/h13-41H,1-12H3.
What are the key properties of tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane?
tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane has a molecular weight of 809.13 g/mol, XLogP of 14.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane is sourced from PubChem (CID 140524404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).