diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate

C30H41OP — CID 172851260

IUPACdiphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate
SMILESCc1cc(C)c(CCCCCCCCCP(c2ccccc2)c2ccccc2)c(C)c1.O
InChIInChI=1S/C30H39P.H2O/c1-25-23-26(2)30(27(3)24-25)21-15-7-5-4-6-8-16-22-31(28-17-11-9-12-18-28)29-19-13-10-14-20-29;/h9-14,17-20,23-24H,4-8,15-16,21-22H2,1-3H3;1H2
InChIKeyASAIELPPMJSFRC-UHFFFAOYSA-N
MW448.63 g/mol
LogP7.19
Rot. Bonds12

About diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate

diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate (PubChem CID 172851260) has the molecular formula C30H41OP and a molecular weight of 448.63 g/mol. Its IUPAC name is diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate.

Molecular Properties

Compound Namediphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate
PubChem CID172851260
Molecular FormulaC30H41OP
Molecular Weight448.63 g/mol
Exact Mass448.29
IUPAC Namediphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate
SMILESCc1cc(C)c(CCCCCCCCCP(c2ccccc2)c2ccccc2)c(C)c1.O
InChIInChI=1S/C30H39P.H2O/c1-25-23-26(2)30(27(3)24-25)21-15-7-5-4-6-8-16-22-31(28-17-11-9-12-18-28)29-19-13-10-14-20-29;/h9-14,17-20,23-24H,4-8,15-16,21-22H2,1-3H3;1H2
InChIKeyASAIELPPMJSFRC-UHFFFAOYSA-N
XLogP7.19
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.63
LogP ≤ 57.19
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

bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane
CID 18324350
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
2-(5-diphenylphosphanylpentyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 172789908
benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
CID 91019854
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane
CID 18962661
3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
CID 134888828
8-diphenylphosphanyloctanoic acid
CID 20679688

Frequently Asked Questions

What is the IUPAC name of diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate?
The IUPAC name of diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate (CID 172851260) is diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate.
What is the SMILES notation for diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate?
The canonical SMILES for diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate is Cc1cc(C)c(CCCCCCCCCP(c2ccccc2)c2ccccc2)c(C)c1.O.
What is the InChIKey of diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate?
The InChIKey is ASAIELPPMJSFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39P.H2O/c1-25-23-26(2)30(27(3)24-25)21-15-7-5-4-6-8-16-22-31(28-17-11-9-12-18-28)29-19-13-10-14-20-29;/h9-14,17-20,23-24H,4-8,15-16,21-22H2,1-3H3;1H2.
What are the key properties of diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate?
diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate has a molecular weight of 448.63 g/mol, XLogP of 7.19, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate is sourced from PubChem (CID 172851260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).