(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide

C34H26BrP — CID 18356036

IUPAC(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide
SMILES[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C34H26P.BrH/c1-4-17-28(18-5-1)35(29-19-6-2-7-20-29,30-21-8-3-9-22-30)34-26-13-12-24-33(34)32-25-14-16-27-15-10-11-23-31(27)32;/h1-26H;1H/q+1;/p-1
InChIKeyGXNJFEFQZPAMEB-UHFFFAOYSA-M
MW545.46 g/mol
LogP4.13
Rot. Bonds5

About (2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide

(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide (PubChem CID 18356036) has the molecular formula C34H26BrP and a molecular weight of 545.46 g/mol. Its IUPAC name is (2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide.

Molecular Properties

Compound Name(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide
PubChem CID18356036
Molecular FormulaC34H26BrP
Molecular Weight545.46 g/mol
Exact Mass544.10
IUPAC Name(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide
SMILES[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C34H26P.BrH/c1-4-17-28(18-5-1)35(29-19-6-2-7-20-29,30-21-8-3-9-22-30)34-26-13-12-24-33(34)32-25-14-16-27-15-10-11-23-31(27)32;/h1-26H;1H/q+1;/p-1
InChIKeyGXNJFEFQZPAMEB-UHFFFAOYSA-M
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.46
LogP ≤ 54.13
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

trinaphthalen-1-yl(phenyl)phosphanium
CID 150544411
naphthalen-1-yl(triphenyl)phosphanium perchlorate
CID 71356057
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide
CID 139757718
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
diphenylphosphane;1-naphthalen-1-ylnaphthalene
CID 69376174
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide?
The IUPAC name of (2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide (CID 18356036) is (2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide.
What is the SMILES notation for (2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide?
The canonical SMILES for (2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide is [Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2-c2cccc3ccccc23)cc1.
What is the InChIKey of (2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide?
The InChIKey is GXNJFEFQZPAMEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H26P.BrH/c1-4-17-28(18-5-1)35(29-19-6-2-7-20-29,30-21-8-3-9-22-30)34-26-13-12-24-33(34)32-25-14-16-27-15-10-11-23-31(27)32;/h1-26H;1H/q+1;/p-1.
What are the key properties of (2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide?
(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide has a molecular weight of 545.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide is sourced from PubChem (CID 18356036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).