dibenzyl-chloro-diheptyl-λ5-phosphane

C28H44ClP — CID 140527552

IUPACdibenzyl-chloro-diheptyl-λ5-phosphane
SMILESCCCCCCCP(Cl)(CCCCCCC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H44ClP/c1-3-5-7-9-17-23-30(29,24-18-10-8-6-4-2,25-27-19-13-11-14-20-27)26-28-21-15-12-16-22-28/h11-16,19-22H,3-10,17-18,23-26H2,1-2H3
InChIKeyVBCSVHTZGVIYFL-UHFFFAOYSA-N
MW447.09 g/mol
LogP10.03
Rot. Bonds16

About dibenzyl-chloro-diheptyl-λ5-phosphane

dibenzyl-chloro-diheptyl-λ5-phosphane (PubChem CID 140527552) has the molecular formula C28H44ClP and a molecular weight of 447.09 g/mol. Its IUPAC name is dibenzyl-chloro-diheptyl-λ5-phosphane.

Molecular Properties

Compound Namedibenzyl-chloro-diheptyl-λ5-phosphane
PubChem CID140527552
Molecular FormulaC28H44ClP
Molecular Weight447.09 g/mol
Exact Mass446.29
IUPAC Namedibenzyl-chloro-diheptyl-λ5-phosphane
SMILESCCCCCCCP(Cl)(CCCCCCC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H44ClP/c1-3-5-7-9-17-23-30(29,24-18-10-8-6-4-2,25-27-19-13-11-14-20-27)26-28-21-15-12-16-22-28/h11-16,19-22H,3-10,17-18,23-26H2,1-2H3
InChIKeyVBCSVHTZGVIYFL-UHFFFAOYSA-N
XLogP10.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.09
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl-chloro-dimethyl-nonyl-λ5-phosphane
CID 140527849
dibenzyl-bromo-didodecyl-λ5-phosphane
CID 140528034
benzyl-bromo-dodecyl-dimethyl-λ5-phosphane
CID 139702290
benzyl-bromo-dimethyl-pentyl-λ5-phosphane
CID 140527604
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride
CID 173028038
chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
chloro-trihexyl-octadecyl-λ5-phosphane
CID 140528098
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
hexakis(decane);ethylbenzene
CID 173398562
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563

Frequently Asked Questions

What is the IUPAC name of dibenzyl-chloro-diheptyl-λ5-phosphane?
The IUPAC name of dibenzyl-chloro-diheptyl-λ5-phosphane (CID 140527552) is dibenzyl-chloro-diheptyl-λ5-phosphane.
What is the SMILES notation for dibenzyl-chloro-diheptyl-λ5-phosphane?
The canonical SMILES for dibenzyl-chloro-diheptyl-λ5-phosphane is CCCCCCCP(Cl)(CCCCCCC)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-chloro-diheptyl-λ5-phosphane?
The InChIKey is VBCSVHTZGVIYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44ClP/c1-3-5-7-9-17-23-30(29,24-18-10-8-6-4-2,25-27-19-13-11-14-20-27)26-28-21-15-12-16-22-28/h11-16,19-22H,3-10,17-18,23-26H2,1-2H3.
What are the key properties of dibenzyl-chloro-diheptyl-λ5-phosphane?
dibenzyl-chloro-diheptyl-λ5-phosphane has a molecular weight of 447.09 g/mol, XLogP of 10.03, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-chloro-diheptyl-λ5-phosphane is sourced from PubChem (CID 140527552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).