methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride

C35H26ClP — CID 159113446

IUPACmethyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1-c1ccc2ccc3cccc4ccc1c2c34.[Cl-]
InChIInChI=1S/C35H26P.ClH/c1-36(28-13-4-2-5-14-28,29-15-6-3-7-16-29)33-18-9-8-17-31(33)30-23-21-27-20-19-25-11-10-12-26-22-24-32(30)35(27)34(25)26;/h2-24H,1H3;1H/q+1;/p-1
InChIKeyKEUBHNZYYFVWMN-UHFFFAOYSA-M
MW513.02 g/mol
LogP5.18
Rot. Bonds4

About methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride

methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride (PubChem CID 159113446) has the molecular formula C35H26ClP and a molecular weight of 513.02 g/mol. Its IUPAC name is methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride.

Molecular Properties

Compound Namemethyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride
PubChem CID159113446
Molecular FormulaC35H26ClP
Molecular Weight513.02 g/mol
Exact Mass512.15
IUPAC Namemethyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1-c1ccc2ccc3cccc4ccc1c2c34.[Cl-]
InChIInChI=1S/C35H26P.ClH/c1-36(28-13-4-2-5-14-28,29-15-6-3-7-16-29)33-18-9-8-17-31(33)30-23-21-27-20-19-25-11-10-12-26-22-24-32(30)35(27)34(25)26;/h2-24H,1H3;1H/q+1;/p-1
InChIKeyKEUBHNZYYFVWMN-UHFFFAOYSA-M
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.02
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide
CID 162205661
1,8-di(pyren-1-yl)pyrene
CID 58915622
(2-pyren-1-ylphenyl)boronic acid
CID 87586549
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
1-pyren-4-ylpyrene
CID 71343129
1-[2,4,6-triphenyl-3,5-di(pyren-1-yl)phenyl]pyrene
CID 20596756
1-(8-bromonaphthalen-1-yl)pyrene
CID 102029905
1-(2,5-dimethyl-4-pyren-1-ylphenyl)pyrene;phosphane
CID 160688990
(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide
CID 18356036

Frequently Asked Questions

What is the IUPAC name of methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride?
The IUPAC name of methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride (CID 159113446) is methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride.
What is the SMILES notation for methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride?
The canonical SMILES for methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1-c1ccc2ccc3cccc4ccc1c2c34.[Cl-].
What is the InChIKey of methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride?
The InChIKey is KEUBHNZYYFVWMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H26P.ClH/c1-36(28-13-4-2-5-14-28,29-15-6-3-7-16-29)33-18-9-8-17-31(33)30-23-21-27-20-19-25-11-10-12-26-22-24-32(30)35(27)34(25)26;/h2-24H,1H3;1H/q+1;/p-1.
What are the key properties of methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride?
methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride has a molecular weight of 513.02 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride is sourced from PubChem (CID 159113446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).