(2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate

C54H46NO2P — CID 56835730

IUPAC(2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
SMILESC[N+](C)(C)Cc1ccccc1P(c1ccccc1)c1ccccc1.[O-]c1c(-c2ccccc2)cc2ccccc2c1-c1c(O)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C32H22O2.C22H25NP/c33-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)34)22-13-5-2-6-14-22;1-23(2,3)18-19-12-10-11-17-22(19)24(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h1-20,33-34H;4-17H,18H2,1-3H3/q;+1/p-1
InChIKeyZUVSDRWXRWHIJS-UHFFFAOYSA-M
MW771.94 g/mol
LogP11.42
Rot. Bonds8

About (2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate

(2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate (PubChem CID 56835730) has the molecular formula C54H46NO2P and a molecular weight of 771.94 g/mol. Its IUPAC name is (2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate.

Molecular Properties

Compound Name(2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
PubChem CID56835730
Molecular FormulaC54H46NO2P
Molecular Weight771.94 g/mol
Exact Mass771.33
IUPAC Name(2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
SMILESC[N+](C)(C)Cc1ccccc1P(c1ccccc1)c1ccccc1.[O-]c1c(-c2ccccc2)cc2ccccc2c1-c1c(O)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C32H22O2.C22H25NP/c33-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)34)22-13-5-2-6-14-22;1-23(2,3)18-19-12-10-11-17-22(19)24(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h1-20,33-34H;4-17H,18H2,1-3H3/q;+1/p-1
InChIKeyZUVSDRWXRWHIJS-UHFFFAOYSA-M
XLogP11.42
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.94
LogP ≤ 511.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
CID 52936759
3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 52912463
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
CID 10284023
1,3-diphenylnaphthalen-2-ol;1-methyl-2-naphthalen-1-ylnaphthalene;2-phenylnaphthalen-1-ol
CID 160917683
3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
CID 132942598
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
CID 162326327
CID 162326327
[1-[2-(diphenylphosphanylmethyl)-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-yl]methyl-diphenylphosphane;tetrakis(2-ethyl-1-(2-ethyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalene)
CID 162119112
trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
CID 171398165

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate?
The IUPAC name of (2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate (CID 56835730) is (2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate.
What is the SMILES notation for (2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate?
The canonical SMILES for (2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate is C[N+](C)(C)Cc1ccccc1P(c1ccccc1)c1ccccc1.[O-]c1c(-c2ccccc2)cc2ccccc2c1-c1c(O)c(-c2ccccc2)cc2ccccc12.
What is the InChIKey of (2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate?
The InChIKey is ZUVSDRWXRWHIJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H22O2.C22H25NP/c33-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)34)22-13-5-2-6-14-22;1-23(2,3)18-19-12-10-11-17-22(19)24(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h1-20,33-34H;4-17H,18H2,1-3H3/q;+1/p-1.
What are the key properties of (2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate?
(2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate has a molecular weight of 771.94 g/mol, XLogP of 11.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphanylphenyl)methyl-trimethylazanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate is sourced from PubChem (CID 56835730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).