(4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite

C29H45O3P — CID 88767163

IUPAC(4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite
SMILESCCCCCCCCCc1c(OP(O)O)cc(CCCC)c(CCCC)c1-c1ccccc1
InChIInChI=1S/C29H45O3P/c1-4-7-10-11-12-13-17-22-27-28(32-33(30)31)23-25(18-8-5-2)26(21-9-6-3)29(27)24-19-15-14-16-20-24/h14-16,19-20,23,30-31H,4-13,17-18,21-22H2,1-3H3
InChIKeyJHMJKDGYQYIGMZ-UHFFFAOYSA-N
MW472.65 g/mol
LogP8.92
Rot. Bonds17

About (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite

(4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite (PubChem CID 88767163) has the molecular formula C29H45O3P and a molecular weight of 472.65 g/mol. Its IUPAC name is (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite
PubChem CID88767163
Molecular FormulaC29H45O3P
Molecular Weight472.65 g/mol
Exact Mass472.31
IUPAC Name(4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite
SMILESCCCCCCCCCc1c(OP(O)O)cc(CCCC)c(CCCC)c1-c1ccccc1
InChIInChI=1S/C29H45O3P/c1-4-7-10-11-12-13-17-22-27-28(32-33(30)31)23-25(18-8-5-2)26(21-9-6-3)29(27)24-19-15-14-16-20-24/h14-16,19-20,23,30-31H,4-13,17-18,21-22H2,1-3H3
InChIKeyJHMJKDGYQYIGMZ-UHFFFAOYSA-N
XLogP8.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.65
LogP ≤ 58.92
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'}

Analyze (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-butyl-2-ethyl-5-(2-ethylphenyl)-3-phenylphenyl] dihydrogen phosphite
CID 175187514
4,5-diheptyl-2-(4-methoxyphenyl)-3-phenylphenol
CID 174287506
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
phosphane;tris([2,3,4-tri(nonyl)phenyl] dihydrogen phosphite)
CID 172726216
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
(2,3,4-tripentylphenyl) dihydrogen phosphite
CID 141324371
diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
CID 88805641
(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite
CID 151672758
3-decyl-4-ethyl-2-phenylphenol
CID 66867433
4-benzyl-5-butyl-3-methyl-2-phenylphenol
CID 10359307
3-ethyl-4-nonyl-2,6-diphenylphenol
CID 174697041
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
CID 173075970

Frequently Asked Questions

What is the IUPAC name of (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite?
The IUPAC name of (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite (CID 88767163) is (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite.
What is the SMILES notation for (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite?
The canonical SMILES for (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite is CCCCCCCCCc1c(OP(O)O)cc(CCCC)c(CCCC)c1-c1ccccc1.
What is the InChIKey of (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite?
The InChIKey is JHMJKDGYQYIGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45O3P/c1-4-7-10-11-12-13-17-22-27-28(32-33(30)31)23-25(18-8-5-2)26(21-9-6-3)29(27)24-19-15-14-16-20-24/h14-16,19-20,23,30-31H,4-13,17-18,21-22H2,1-3H3.
What are the key properties of (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite?
(4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite has a molecular weight of 472.65 g/mol, XLogP of 8.92, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite is sourced from PubChem (CID 88767163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).