[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane

C38H33ClN2P2 — CID 170059377

IUPAC[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane
SMILESCC(Cl)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H33ClN2P2/c1-38(39,40-42(32-20-8-2-9-21-32,33-22-10-3-11-23-33)34-24-12-4-13-25-34)41-43(35-26-14-5-15-27-35,36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31H,1H3
InChIKeyYQXJUTWMLSSKND-UHFFFAOYSA-N
MW615.10 g/mol
LogP8.25
Rot. Bonds8

About [1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane

[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane (PubChem CID 170059377) has the molecular formula C38H33ClN2P2 and a molecular weight of 615.10 g/mol. Its IUPAC name is [1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane
PubChem CID170059377
Molecular FormulaC38H33ClN2P2
Molecular Weight615.10 g/mol
Exact Mass614.18
IUPAC Name[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane
SMILESCC(Cl)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H33ClN2P2/c1-38(39,40-42(32-20-8-2-9-21-32,33-22-10-3-11-23-33)34-24-12-4-13-25-34)41-43(35-26-14-5-15-27-35,36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31H,1H3
InChIKeyYQXJUTWMLSSKND-UHFFFAOYSA-N
XLogP8.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.10
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[chloro-(1,1,1-trichloro-2-methylpropan-2-yl)oxyphosphoryl]imino-triphenyl-λ5-phosphane
CID 98160875
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane
CID 134984617
1-[(1-amino-1-chloroethyl)-phenylphosphoryl]-1-chloroethanamine
CID 168876205
(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
(tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride
CID 11845879
2-chloro-2-methylpropane;toluene
CID 67707971
[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane
CID 134935311
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium
CID 5257507
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
CID 50986602
CID 50986602

Frequently Asked Questions

What is the IUPAC name of [1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane?
The IUPAC name of [1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane (CID 170059377) is [1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane.
What is the SMILES notation for [1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane?
The canonical SMILES for [1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane is CC(Cl)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane?
The InChIKey is YQXJUTWMLSSKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33ClN2P2/c1-38(39,40-42(32-20-8-2-9-21-32,33-22-10-3-11-23-33)34-24-12-4-13-25-34)41-43(35-26-14-5-15-27-35,36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31H,1H3.
What are the key properties of [1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane?
[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane has a molecular weight of 615.10 g/mol, XLogP of 8.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane is sourced from PubChem (CID 170059377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).