naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride

C34H28ClP — CID 173130284

IUPACnaphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride
SMILESCl.c1ccc(P(c2ccccc2)(c2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H27P.ClH/c1-5-18-29(19-6-1)35(30-20-7-2-8-21-30,31-22-9-3-10-23-31,32-24-11-4-12-25-32)34-27-15-17-28-16-13-14-26-33(28)34;/h1-27H;1H
InChIKeyCCKKYWKDUWOJEU-UHFFFAOYSA-N
MW503.03 g/mol
LogP6.74
Rot. Bonds5

About naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride

naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride (PubChem CID 173130284) has the molecular formula C34H28ClP and a molecular weight of 503.03 g/mol. Its IUPAC name is naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride.

Molecular Properties

Compound Namenaphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride
PubChem CID173130284
Molecular FormulaC34H28ClP
Molecular Weight503.03 g/mol
Exact Mass502.16
IUPAC Namenaphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride
SMILESCl.c1ccc(P(c2ccccc2)(c2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H27P.ClH/c1-5-18-29(19-6-1)35(30-20-7-2-8-21-30,31-22-9-3-10-23-31,32-24-11-4-12-25-32)34-27-15-17-28-16-13-14-26-33(28)34;/h1-27H;1H
InChIKeyCCKKYWKDUWOJEU-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.03
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-dinaphthalen-1-yl-phenoxy-λ5-phosphane
CID 57215157
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
molecular hydrogen;naphthalen-1-ylphosphane
CID 174185570
sodium;1-fluoronaphthalene;hydride
CID 174852667
magnesium;1-fluoronaphthalene;dibromide
CID 174875222
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride?
The IUPAC name of naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride (CID 173130284) is naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride.
What is the SMILES notation for naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride?
The canonical SMILES for naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride is Cl.c1ccc(P(c2ccccc2)(c2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride?
The InChIKey is CCKKYWKDUWOJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27P.ClH/c1-5-18-29(19-6-1)35(30-20-7-2-8-21-30,31-22-9-3-10-23-31,32-24-11-4-12-25-32)34-27-15-17-28-16-13-14-26-33(28)34;/h1-27H;1H.
What are the key properties of naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride?
naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride has a molecular weight of 503.03 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl(tetraphenyl)-λ5-phosphane;hydrochloride is sourced from PubChem (CID 173130284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).