[2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane

C39H67O3P — CID 70486124

IUPAC[2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane
SMILESCCCCCCCCCc1cccc(-c2ccccc2P(O)(O)(O)CCCCCCCCC)c1CCCCCCCCC
InChIInChI=1S/C39H67O3P/c1-4-7-10-13-16-19-22-28-35-29-27-32-37(36(35)30-23-20-17-14-11-8-5-2)38-31-24-25-33-39(38)43(40,41,42)34-26-21-18-15-12-9-6-3/h24-25,27,29,31-33,40-42H,4-23,26,28,30,34H2,1-3H3
InChIKeyHITADKBNMNFEDE-UHFFFAOYSA-N
MW614.94 g/mol
LogP11.59
Rot. Bonds26

About [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane

[2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane (PubChem CID 70486124) has the molecular formula C39H67O3P and a molecular weight of 614.94 g/mol. Its IUPAC name is [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane.

Molecular Properties

Compound Name[2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane
PubChem CID70486124
Molecular FormulaC39H67O3P
Molecular Weight614.94 g/mol
Exact Mass614.48
IUPAC Name[2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane
SMILESCCCCCCCCCc1cccc(-c2ccccc2P(O)(O)(O)CCCCCCCCC)c1CCCCCCCCC
InChIInChI=1S/C39H67O3P/c1-4-7-10-13-16-19-22-28-35-29-27-32-37(36(35)30-23-20-17-14-11-8-5-2)38-31-24-25-33-39(38)43(40,41,42)34-26-21-18-15-12-9-6-3/h24-25,27,29,31-33,40-42H,4-23,26,28,30,34H2,1-3H3
InChIKeyHITADKBNMNFEDE-UHFFFAOYSA-N
XLogP11.59
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.94
LogP ≤ 511.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane 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

1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2-di(nonyl)-3-phenylbenzene;phosphonous acid
CID 70527839
2-butyl-1-octyl-3-propylbenzene
CID 141216645
[2,3-di(nonyl)phenyl]phosphonous acid
CID 19736789
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
2,3-di(nonadecyl)phenol
CID 151687635
3-dodecyl-2-nonylphenol;phosphorous acid
CID 71149565
3-butyl-2-hexylphenol
CID 66867063

Frequently Asked Questions

What is the IUPAC name of [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane?
The IUPAC name of [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane (CID 70486124) is [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane.
What is the SMILES notation for [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane?
The canonical SMILES for [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane is CCCCCCCCCc1cccc(-c2ccccc2P(O)(O)(O)CCCCCCCCC)c1CCCCCCCCC.
What is the InChIKey of [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane?
The InChIKey is HITADKBNMNFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H67O3P/c1-4-7-10-13-16-19-22-28-35-29-27-32-37(36(35)30-23-20-17-14-11-8-5-2)38-31-24-25-33-39(38)43(40,41,42)34-26-21-18-15-12-9-6-3/h24-25,27,29,31-33,40-42H,4-23,26,28,30,34H2,1-3H3.
What are the key properties of [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane?
[2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane has a molecular weight of 614.94 g/mol, XLogP of 11.59, 26 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane is sourced from PubChem (CID 70486124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).