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

C35H26BrP — CID 162205661

IUPACmethyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1-c1ccc2ccc3cccc4ccc1c2c34.[Br-]
InChIInChI=1S/C35H26P.BrH/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
InChIKeyZSDREYVHWXFGEI-UHFFFAOYSA-M
MW557.47 g/mol
LogP5.18
Rot. Bonds4

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

methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide (PubChem CID 162205661) has the molecular formula C35H26BrP and a molecular weight of 557.47 g/mol. Its IUPAC name is methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide.

Molecular Properties

Compound Namemethyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide
PubChem CID162205661
Molecular FormulaC35H26BrP
Molecular Weight557.47 g/mol
Exact Mass556.10
IUPAC Namemethyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1-c1ccc2ccc3cccc4ccc1c2c34.[Br-]
InChIInChI=1S/C35H26P.BrH/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
InChIKeyZSDREYVHWXFGEI-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 ≤ 500557.47
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 chloride
CID 159113446
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
(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide
CID 18356036
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176632742
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

Frequently Asked Questions

What is the IUPAC name of methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide?
The IUPAC name of methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide (CID 162205661) is methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide.
What is the SMILES notation for methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide?
The canonical SMILES for methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1-c1ccc2ccc3cccc4ccc1c2c34.[Br-].
What is the InChIKey of methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide?
The InChIKey is ZSDREYVHWXFGEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H26P.BrH/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 bromide?
methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium bromide has a molecular weight of 557.47 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 bromide is sourced from PubChem (CID 162205661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).