(tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride

C34H35ClN2P2 — CID 11845879

IUPAC(tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride
SMILESCC(C)(C)N[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C34H35N2P2.ClH/c1-34(2,3)35-38(32-25-15-7-16-26-32,33-27-17-8-18-28-33)36-37(29-19-9-4-10-20-29,30-21-11-5-12-22-30)31-23-13-6-14-24-31;/h4-28,35H,1-3H3;1H/q+1;/p-1
InChIKeyVGMLISYSGDYRDL-UHFFFAOYSA-M
MW569.07 g/mol
LogP4.05
Rot. Bonds7

About (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride

(tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride (PubChem CID 11845879) has the molecular formula C34H35ClN2P2 and a molecular weight of 569.07 g/mol. Its IUPAC name is (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride.

Molecular Properties

Compound Name(tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride
PubChem CID11845879
Molecular FormulaC34H35ClN2P2
Molecular Weight569.07 g/mol
Exact Mass568.20
IUPAC Name(tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride
SMILESCC(C)(C)N[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C34H35N2P2.ClH/c1-34(2,3)35-38(32-25-15-7-16-26-32,33-27-17-8-18-28-33)36-37(29-19-9-4-10-20-29,30-21-11-5-12-22-30)31-23-13-6-14-24-31;/h4-28,35H,1-3H3;1H/q+1;/p-1
InChIKeyVGMLISYSGDYRDL-UHFFFAOYSA-M
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.07
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride 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

bis(tetrafluoro(methyl)silanuide);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium)
CID 139163376
[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane
CID 170059377
iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate
CID 139138286
2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid
CID 134884381
CID 139138291
CID 139138291
CID 139138288
CID 139138288
(4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane
CID 102250430
1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene
CID 78061620
4-[2-(4-hydroxyphenyl)propan-2-yl]phenolate;tetrakis[(triphenyl-λ5-phosphanylidene)amino]phosphanium
CID 174241416
1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 134968939
ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate
CID 10643311
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane
CID 134984617

Frequently Asked Questions

What is the IUPAC name of (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride?
The IUPAC name of (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride (CID 11845879) is (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride.
What is the SMILES notation for (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride?
The canonical SMILES for (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride is CC(C)(C)N[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride?
The InChIKey is VGMLISYSGDYRDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H35N2P2.ClH/c1-34(2,3)35-38(32-25-15-7-16-26-32,33-27-17-8-18-28-33)36-37(29-19-9-4-10-20-29,30-21-11-5-12-22-30)31-23-13-6-14-24-31;/h4-28,35H,1-3H3;1H/q+1;/p-1.
What are the key properties of (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride?
(tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride has a molecular weight of 569.07 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride is sourced from PubChem (CID 11845879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).