N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine

C27H30NOP — CID 132581027

IUPACN-diphenylphosphoryl-1-phenylnon-2-yn-1-amine
SMILESCCCCCCC#CC(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30NOP/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24)28-30(29,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h7-15,17-22,27H,2-6H2,1H3,(H,28,29)
InChIKeyQMMPDOSRWDDWMR-UHFFFAOYSA-N
MW415.52 g/mol
LogP6.22
Rot. Bonds9

About N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine

N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine (PubChem CID 132581027) has the molecular formula C27H30NOP and a molecular weight of 415.52 g/mol. Its IUPAC name is N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1-phenylnon-2-yn-1-amine
PubChem CID132581027
Molecular FormulaC27H30NOP
Molecular Weight415.52 g/mol
Exact Mass415.21
IUPAC NameN-diphenylphosphoryl-1-phenylnon-2-yn-1-amine
SMILESCCCCCCC#CC(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30NOP/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24)28-30(29,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h7-15,17-22,27H,2-6H2,1H3,(H,28,29)
InChIKeyQMMPDOSRWDDWMR-UHFFFAOYSA-N
XLogP6.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(1R)-1-phenylundec-2-ynyl]aniline
CID 122206072
N-(1-phenylhept-2-ynyl)benzenesulfonamide
CID 11522715
methyl 1-phenyloct-2-ynyl carbonate
CID 11054408
N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide
CID 11623711
ethyl N-methyl-N-(1-phenylnon-2-ynyl)carbamate
CID 71697749
(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine
CID 101481551
2-methyldec-3-ynylbenzene
CID 102174838
3-pentylundeca-1,4-diynylbenzene
CID 164898944
2,2,2-trichloroethyl N-(1-phenylhept-2-ynyl)carbamate
CID 102299157
(2R)-N-diphenylphosphoryl-1-phenylpentan-2-amine
CID 14934133
(2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol
CID 10567884
(2R)-2-[benzyl-[(2R)-non-3-yn-2-yl]amino]-2-phenylethanol
CID 10937008

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine?
The IUPAC name of N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine (CID 132581027) is N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine.
What is the SMILES notation for N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine?
The canonical SMILES for N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine is CCCCCCC#CC(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine?
The InChIKey is QMMPDOSRWDDWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30NOP/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24)28-30(29,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h7-15,17-22,27H,2-6H2,1H3,(H,28,29).
What are the key properties of N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine?
N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine has a molecular weight of 415.52 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine is sourced from PubChem (CID 132581027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).