(3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite

C34H35O3P — CID 19087237

IUPAC(3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite
SMILESCC(C)(C)c1ccc2cc(OP(O)Oc3ccccc3-c3ccc4ccccc4c3)c(C(C)(C)C)cc2c1
InChIInChI=1S/C34H35O3P/c1-33(2,3)28-18-17-25-22-32(30(34(4,5)6)21-27(25)20-28)37-38(35)36-31-14-10-9-13-29(31)26-16-15-23-11-7-8-12-24(23)19-26/h7-22,35H,1-6H3
InChIKeyFNHLWSXQRBTSFF-UHFFFAOYSA-N
MW522.63 g/mol
LogP9.93
Rot. Bonds5

About (3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite

(3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite (PubChem CID 19087237) has the molecular formula C34H35O3P and a molecular weight of 522.63 g/mol. Its IUPAC name is (3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite.

Molecular Properties

Compound Name(3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite
PubChem CID19087237
Molecular FormulaC34H35O3P
Molecular Weight522.63 g/mol
Exact Mass522.23
IUPAC Name(3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite
SMILESCC(C)(C)c1ccc2cc(OP(O)Oc3ccccc3-c3ccc4ccccc4c3)c(C(C)(C)C)cc2c1
InChIInChI=1S/C34H35O3P/c1-33(2,3)28-18-17-25-22-32(30(34(4,5)6)21-27(25)20-28)37-38(35)36-31-14-10-9-13-29(31)26-16-15-23-11-7-8-12-24(23)19-26/h7-22,35H,1-6H3
InChIKeyFNHLWSXQRBTSFF-UHFFFAOYSA-N
XLogP9.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 59.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
CID 23002710
bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
tris(3-tert-butylnaphthalen-2-yl) phosphite
CID 19087278
bis(3,6-ditert-butylnaphthalen-2-yl) [4-(trifluoromethyl)phenyl] phosphite
CID 19087200
4-tert-butyl-2-naphthalen-2-ylphenol
CID 118868504
[2,3-bis(3,6-ditert-butylnaphthalen-2-yl)phenyl] phosphite
CID 19087229
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
(3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate
CID 162260260
2,8-ditert-butyl-5,11-dinaphthalen-2-ylbenzo[a]pyrene
CID 153341592
(6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 19087216
bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
CID 54014526
(2-naphthalen-2-ylphenoxy)boronic acid
CID 150538164

Frequently Asked Questions

What is the IUPAC name of (3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite?
The IUPAC name of (3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite (CID 19087237) is (3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite.
What is the SMILES notation for (3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite?
The canonical SMILES for (3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite is CC(C)(C)c1ccc2cc(OP(O)Oc3ccccc3-c3ccc4ccccc4c3)c(C(C)(C)C)cc2c1.
What is the InChIKey of (3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite?
The InChIKey is FNHLWSXQRBTSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35O3P/c1-33(2,3)28-18-17-25-22-32(30(34(4,5)6)21-27(25)20-28)37-38(35)36-31-14-10-9-13-29(31)26-16-15-23-11-7-8-12-24(23)19-26/h7-22,35H,1-6H3.
What are the key properties of (3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite?
(3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite has a molecular weight of 522.63 g/mol, XLogP of 9.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite is sourced from PubChem (CID 19087237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).