disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)

C50H94N12Na2O6P4 — CID 135049981

IUPACdisodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)
SMILESCN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C.[Na+].[Na+].[O-]C(c1ccccc1)c1ccccc1.[O-]C(c1ccccc1)c1ccccc1
InChIInChI=1S/2C13H11O.4C6H18N3OP.2Na/c2*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;4*1-7(2)11(10,8(3)4)9(5)6;;/h2*1-10,13H;4*1-6H3;;/q2*-1;;;;;2*+1
InChIKeyQUVALTBPQSNIIE-UHFFFAOYSA-N
MW1129.26 g/mol
LogP1.40
Rot. Bonds16

About disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)

disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate) (PubChem CID 135049981) has the molecular formula C50H94N12Na2O6P4 and a molecular weight of 1129.26 g/mol. Its IUPAC name is disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate).

Molecular Properties

Compound Namedisodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)
PubChem CID135049981
Molecular FormulaC50H94N12Na2O6P4
Molecular Weight1129.26 g/mol
Exact Mass1128.62
IUPAC Namedisodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)
SMILESCN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C.[Na+].[Na+].[O-]C(c1ccccc1)c1ccccc1.[O-]C(c1ccccc1)c1ccccc1
InChIInChI=1S/2C13H11O.4C6H18N3OP.2Na/c2*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;4*1-7(2)11(10,8(3)4)9(5)6;;/h2*1-10,13H;4*1-6H3;;/q2*-1;;;;;2*+1
InChIKeyQUVALTBPQSNIIE-UHFFFAOYSA-N
XLogP1.40
TPSA153.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001129.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate) 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

sodium diphenylmethanolate
CID 22420719
diphenylmethanolate
CID 57466266
disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
CID 174826908
sodium 1-phenylbutan-1-olate
CID 70503341
[dimethylamino(phenyl)methyl]-oxosulfanium
CID 19813754
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
dimethylphosphoryl(phenyl)methanamine;hydrochloride
CID 155819704
N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine
CID 101458764
N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine
CID 71348683
N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 24891588
1-dichlorophosphorylpropan-2-ylbenzene
CID 139980768
acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine
CID 174794391

Frequently Asked Questions

What is the IUPAC name of disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)?
The IUPAC name of disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate) (CID 135049981) is disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate).
What is the SMILES notation for disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)?
The canonical SMILES for disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate) is CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C.CN(C)P(=O)(N(C)C)N(C)C.[Na+].[Na+].[O-]C(c1ccccc1)c1ccccc1.[O-]C(c1ccccc1)c1ccccc1.
What is the InChIKey of disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)?
The InChIKey is QUVALTBPQSNIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H11O.4C6H18N3OP.2Na/c2*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;4*1-7(2)11(10,8(3)4)9(5)6;;/h2*1-10,13H;4*1-6H3;;/q2*-1;;;;;2*+1.
What are the key properties of disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)?
disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate) has a molecular weight of 1129.26 g/mol, XLogP of 1.40, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate) is sourced from PubChem (CID 135049981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).