[2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite

C26H31O3P — CID 175096333

IUPAC[2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite
SMILESCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1OP(O)O
InChIInChI=1S/C26H31O3P/c1-2-3-4-5-14-21-26(22-15-8-6-9-16-22,23-17-10-7-11-18-23)24-19-12-13-20-25(24)29-30(27)28/h6-13,15-20,27-28H,2-5,14,21H2,1H3
InChIKeyLZULOYINLGJWSZ-UHFFFAOYSA-N
MW422.51 g/mol
LogP6.97
Rot. Bonds11

About [2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite

[2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite (PubChem CID 175096333) has the molecular formula C26H31O3P and a molecular weight of 422.51 g/mol. Its IUPAC name is [2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite
PubChem CID175096333
Molecular FormulaC26H31O3P
Molecular Weight422.51 g/mol
Exact Mass422.20
IUPAC Name[2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite
SMILESCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1OP(O)O
InChIInChI=1S/C26H31O3P/c1-2-3-4-5-14-21-26(22-15-8-6-9-16-22,23-17-10-7-11-18-23)24-19-12-13-20-25(24)29-30(27)28/h6-13,15-20,27-28H,2-5,14,21H2,1H3
InChIKeyLZULOYINLGJWSZ-UHFFFAOYSA-N
XLogP6.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[2-[15-(2-dihydroxyphosphanyloxyphenyl)-14,14-di(tridecyl)nonacosan-15-yl]phenyl] dihydrogen phosphite
CID 54144706
[2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite
CID 174926133
[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite
CID 67658344
1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite
CID 21499219
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-ethoxy-2-phenyldecan-1-ol
CID 66778528
diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
CID 88805641
5-phenyltetradecan-5-ol
CID 175223116
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
5-phenylundecan-5-ol
CID 175525363
5-phenylnonan-5-yl dihydrogen phosphite
CID 126613823
(E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol
CID 69492730

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite?
The IUPAC name of [2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite (CID 175096333) is [2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite.
What is the SMILES notation for [2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite?
The canonical SMILES for [2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite is CCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1OP(O)O.
What is the InChIKey of [2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite?
The InChIKey is LZULOYINLGJWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31O3P/c1-2-3-4-5-14-21-26(22-15-8-6-9-16-22,23-17-10-7-11-18-23)24-19-12-13-20-25(24)29-30(27)28/h6-13,15-20,27-28H,2-5,14,21H2,1H3.
What are the key properties of [2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite?
[2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite has a molecular weight of 422.51 g/mol, XLogP of 6.97, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite is sourced from PubChem (CID 175096333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).