bis(4-tert-butylphenyl) naphthalen-2-yl phosphate

C30H33O4P — CID 139980260

IUPACbis(4-tert-butylphenyl) naphthalen-2-yl phosphate
SMILESCC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)C)cc2)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C30H33O4P/c1-29(2,3)24-12-17-26(18-13-24)32-35(31,33-27-19-14-25(15-20-27)30(4,5)6)34-28-16-11-22-9-7-8-10-23(22)21-28/h7-21H,1-6H3
InChIKeyOAHWXCTWJRZMJP-UHFFFAOYSA-N
MW488.56 g/mol
LogP9.08
Rot. Bonds6

About bis(4-tert-butylphenyl) naphthalen-2-yl phosphate

bis(4-tert-butylphenyl) naphthalen-2-yl phosphate (PubChem CID 139980260) has the molecular formula C30H33O4P and a molecular weight of 488.56 g/mol. Its IUPAC name is bis(4-tert-butylphenyl) naphthalen-2-yl phosphate.

Molecular Properties

Compound Namebis(4-tert-butylphenyl) naphthalen-2-yl phosphate
PubChem CID139980260
Molecular FormulaC30H33O4P
Molecular Weight488.56 g/mol
Exact Mass488.21
IUPAC Namebis(4-tert-butylphenyl) naphthalen-2-yl phosphate
SMILESCC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)C)cc2)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C30H33O4P/c1-29(2,3)24-12-17-26(18-13-24)32-35(31,33-27-19-14-25(15-20-27)30(4,5)6)34-28-16-11-22-9-7-8-10-23(22)21-28/h7-21H,1-6H3
InChIKeyOAHWXCTWJRZMJP-UHFFFAOYSA-N
XLogP9.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl) naphthalen-2-yl phosphate?
The IUPAC name of bis(4-tert-butylphenyl) naphthalen-2-yl phosphate (CID 139980260) is bis(4-tert-butylphenyl) naphthalen-2-yl phosphate.
What is the SMILES notation for bis(4-tert-butylphenyl) naphthalen-2-yl phosphate?
The canonical SMILES for bis(4-tert-butylphenyl) naphthalen-2-yl phosphate is CC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)C)cc2)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of bis(4-tert-butylphenyl) naphthalen-2-yl phosphate?
The InChIKey is OAHWXCTWJRZMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33O4P/c1-29(2,3)24-12-17-26(18-13-24)32-35(31,33-27-19-14-25(15-20-27)30(4,5)6)34-28-16-11-22-9-7-8-10-23(22)21-28/h7-21H,1-6H3.
What are the key properties of bis(4-tert-butylphenyl) naphthalen-2-yl phosphate?
bis(4-tert-butylphenyl) naphthalen-2-yl phosphate has a molecular weight of 488.56 g/mol, XLogP of 9.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl) naphthalen-2-yl phosphate is sourced from PubChem (CID 139980260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).