2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile

C25H21N2OP — CID 135070541

IUPAC2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile
SMILESCC(C#N)(NP(=O)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H21N2OP/c1-25(19-26,22-17-16-20-10-8-9-11-21(20)18-22)27-29(28,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-18H,1H3,(H,27,28)
InChIKeyYNMPZZHQUUDPEE-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.10
Rot. Bonds5

About 2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile

2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile (PubChem CID 135070541) has the molecular formula C25H21N2OP and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile.

Molecular Properties

Compound Name2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile
PubChem CID135070541
Molecular FormulaC25H21N2OP
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile
SMILESCC(C#N)(NP(=O)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H21N2OP/c1-25(19-26,22-17-16-20-10-8-9-11-21(20)18-22)27-29(28,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-18H,1H3,(H,27,28)
InChIKeyYNMPZZHQUUDPEE-UHFFFAOYSA-N
XLogP5.10
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diphenylphosphorylamino)-2-(4-methylphenyl)propanenitrile
CID 135071298
(2S)-2-(4-bromophenyl)-2-(diphenylphosphorylamino)propanenitrile
CID 102391094
(2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine
CID 102386716
ethyl (2S,3S)-3-(diphenylphosphorylamino)-2-methyl-3-naphthalen-2-ylbutanoate
CID 135003944
(1R)-N-diphenylphosphoryl-1-isocyano-1-phenylethanamine
CID 134998534
(1R)-N-diphenylphosphoryl-1-isocyano-1-(4-methylphenyl)ethanamine
CID 134998544
2-(naphthalen-2-ylamino)acetonitrile
CID 43420244
3-cyano-3-naphthalen-2-ylpentanedioic acid
CID 18333565
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
bis(4-tert-butylphenyl) naphthalen-2-yl phosphate
CID 139980260
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene
CID 122593125

Frequently Asked Questions

What is the IUPAC name of 2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile?
The IUPAC name of 2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile (CID 135070541) is 2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile.
What is the SMILES notation for 2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile?
The canonical SMILES for 2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile is CC(C#N)(NP(=O)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile?
The InChIKey is YNMPZZHQUUDPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N2OP/c1-25(19-26,22-17-16-20-10-8-9-11-21(20)18-22)27-29(28,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-18H,1H3,(H,27,28).
What are the key properties of 2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile?
2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile has a molecular weight of 396.43 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile is sourced from PubChem (CID 135070541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).