[2,3,4-tri(nonyl)phenyl]phosphane

C33H61P — CID 22289981

IUPAC[2,3,4-tri(nonyl)phenyl]phosphane
SMILESCCCCCCCCCc1ccc(P)c(CCCCCCCCC)c1CCCCCCCCC
InChIInChI=1S/C33H61P/c1-4-7-10-13-16-19-22-25-30-28-29-33(34)32(27-24-21-18-15-12-9-6-3)31(30)26-23-20-17-14-11-8-5-2/h28-29H,4-27,34H2,1-3H3
InChIKeyCIMHIZUXMJDNDL-UHFFFAOYSA-N
MW488.83 g/mol
LogP11.07
Rot. Bonds24

About [2,3,4-tri(nonyl)phenyl]phosphane

[2,3,4-tri(nonyl)phenyl]phosphane (PubChem CID 22289981) has the molecular formula C33H61P and a molecular weight of 488.83 g/mol. Its IUPAC name is [2,3,4-tri(nonyl)phenyl]phosphane.

Molecular Properties

Compound Name[2,3,4-tri(nonyl)phenyl]phosphane
PubChem CID22289981
Molecular FormulaC33H61P
Molecular Weight488.83 g/mol
Exact Mass488.45
IUPAC Name[2,3,4-tri(nonyl)phenyl]phosphane
SMILESCCCCCCCCCc1ccc(P)c(CCCCCCCCC)c1CCCCCCCCC
InChIInChI=1S/C33H61P/c1-4-7-10-13-16-19-22-25-30-28-29-33(34)32(27-24-21-18-15-12-9-6-3)31(30)26-23-20-17-14-11-8-5-2/h28-29H,4-27,34H2,1-3H3
InChIKeyCIMHIZUXMJDNDL-UHFFFAOYSA-N
XLogP11.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.83
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dibutylphenyl)phosphane
CID 19901991
1,2,3,4-tetrabutylbenzene
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(2,3-dihexyl-6-nonylphenyl)methanamine
CID 161402444
3,4-diheptyl-2-hexylphenol
CID 66866250
1-iodo-2,3,4-tri(nonyl)benzene
CID 70513749
azane;1-(chloromethyl)-2,3,4-trioctadecylbenzene
CID 87573745
3,4,9,10-tetradodecylpicene
CID 58426518
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687

Frequently Asked Questions

What is the IUPAC name of [2,3,4-tri(nonyl)phenyl]phosphane?
The IUPAC name of [2,3,4-tri(nonyl)phenyl]phosphane (CID 22289981) is [2,3,4-tri(nonyl)phenyl]phosphane.
What is the SMILES notation for [2,3,4-tri(nonyl)phenyl]phosphane?
The canonical SMILES for [2,3,4-tri(nonyl)phenyl]phosphane is CCCCCCCCCc1ccc(P)c(CCCCCCCCC)c1CCCCCCCCC.
What is the InChIKey of [2,3,4-tri(nonyl)phenyl]phosphane?
The InChIKey is CIMHIZUXMJDNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H61P/c1-4-7-10-13-16-19-22-25-30-28-29-33(34)32(27-24-21-18-15-12-9-6-3)31(30)26-23-20-17-14-11-8-5-2/h28-29H,4-27,34H2,1-3H3.
What are the key properties of [2,3,4-tri(nonyl)phenyl]phosphane?
[2,3,4-tri(nonyl)phenyl]phosphane has a molecular weight of 488.83 g/mol, XLogP of 11.07, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4-tri(nonyl)phenyl]phosphane is sourced from PubChem (CID 22289981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).