bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate

C32H35O4P — CID 68741476

IUPACbis(2-tert-butylphenyl) (4-phenylphenyl) phosphate
SMILESCC(C)(C)c1ccccc1OP(=O)(Oc1ccc(-c2ccccc2)cc1)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C32H35O4P/c1-31(2,3)27-16-10-12-18-29(27)35-37(33,36-30-19-13-11-17-28(30)32(4,5)6)34-26-22-20-25(21-23-26)24-14-8-7-9-15-24/h7-23H,1-6H3
InChIKeyHBOGAJMIKHBUOX-UHFFFAOYSA-N
MW514.60 g/mol
LogP9.59
Rot. Bonds7

About bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate

bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate (PubChem CID 68741476) has the molecular formula C32H35O4P and a molecular weight of 514.60 g/mol. Its IUPAC name is bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate.

Molecular Properties

Compound Namebis(2-tert-butylphenyl) (4-phenylphenyl) phosphate
PubChem CID68741476
Molecular FormulaC32H35O4P
Molecular Weight514.60 g/mol
Exact Mass514.23
IUPAC Namebis(2-tert-butylphenyl) (4-phenylphenyl) phosphate
SMILESCC(C)(C)c1ccccc1OP(=O)(Oc1ccc(-c2ccccc2)cc1)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C32H35O4P/c1-31(2,3)27-16-10-12-18-29(27)35-37(33,36-30-19-13-11-17-28(30)32(4,5)6)34-26-22-20-25(21-23-26)24-14-8-7-9-15-24/h7-23H,1-6H3
InChIKeyHBOGAJMIKHBUOX-UHFFFAOYSA-N
XLogP9.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.60
LogP ≤ 59.59
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-tert-butylphenyl) (2,3,4,5,6-pentadeuteriophenyl) phosphate
CID 169434722
bis(2,4-ditert-butylphenyl) phenyl phosphate;(2,4-ditert-butylphenyl) diphenyl phosphate
CID 158310667
[4-(2-tert-butylphenyl)-2,3-diphenylphenyl] diphenyl phosphate
CID 175192889
1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene
CID 15755466
1-tert-butyl-2-dichlorophosphoryloxybenzene
CID 22751830
[2,3-bis(4-tert-butylphenyl)phenyl] diphenyl phosphate
CID 175194897
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
[2-[2-bis(4-methylphenoxy)phosphoryloxyphenyl]phenyl] bis(4-methylphenyl) phosphate
CID 91534838
hydroxy phenyl (4-phenylphenyl) phosphate
CID 139950736
bis(2-methylphenyl) phenyl phosphate
CID 14618640
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
(2-tert-butylphenyl) chloro hydrogen phosphate
CID 67980100

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate?
The IUPAC name of bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate (CID 68741476) is bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate.
What is the SMILES notation for bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate?
The canonical SMILES for bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate is CC(C)(C)c1ccccc1OP(=O)(Oc1ccc(-c2ccccc2)cc1)Oc1ccccc1C(C)(C)C.
What is the InChIKey of bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate?
The InChIKey is HBOGAJMIKHBUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35O4P/c1-31(2,3)27-16-10-12-18-29(27)35-37(33,36-30-19-13-11-17-28(30)32(4,5)6)34-26-22-20-25(21-23-26)24-14-8-7-9-15-24/h7-23H,1-6H3.
What are the key properties of bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate?
bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate has a molecular weight of 514.60 g/mol, XLogP of 9.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate is sourced from PubChem (CID 68741476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).