(4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide

C28H27Br2P — CID 18958202

IUPAC(4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide
SMILESCc1ccc([P+](Cc2ccc(Br)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Br-]
InChIInChI=1S/C28H27BrP.BrH/c1-21-4-14-26(15-5-21)30(27-16-6-22(2)7-17-27,28-18-8-23(3)9-19-28)20-24-10-12-25(29)13-11-24;/h4-19H,20H2,1-3H3;1H/q+1;/p-1
InChIKeyACDTUQRSDDINLS-UHFFFAOYSA-M
MW554.31 g/mol
LogP3.87
Rot. Bonds5

About (4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide

(4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide (PubChem CID 18958202) has the molecular formula C28H27Br2P and a molecular weight of 554.31 g/mol. Its IUPAC name is (4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide.

Molecular Properties

Compound Name(4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide
PubChem CID18958202
Molecular FormulaC28H27Br2P
Molecular Weight554.31 g/mol
Exact Mass552.02
IUPAC Name(4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide
SMILESCc1ccc([P+](Cc2ccc(Br)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Br-]
InChIInChI=1S/C28H27BrP.BrH/c1-21-4-14-26(15-5-21)30(27-16-6-22(2)7-17-27,28-18-8-23(3)9-19-28)20-24-10-12-25(29)13-11-24;/h4-19H,20H2,1-3H3;1H/q+1;/p-1
InChIKeyACDTUQRSDDINLS-UHFFFAOYSA-M
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.31
LogP ≤ 53.87
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

tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium
CID 57343191
(4-methylphenyl)-[[4-[4-[[(4-methylphenyl)-diphenylphosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium dibromide
CID 45104023
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
(9,10-dioxoanthracen-2-yl)methyl-tris(4-methylphenyl)phosphanium
CID 5195137
1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol
CID 53486765
magnesium;1-bromo-4-methylbenzene;hydride
CID 173035021
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
[4-(bromomethyl)phenyl]methyl-tris(4-methoxyphenyl)phosphanium bromide
CID 23631361
2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442413
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
CID 43695964

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide?
The IUPAC name of (4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide (CID 18958202) is (4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide.
What is the SMILES notation for (4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide?
The canonical SMILES for (4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide is Cc1ccc([P+](Cc2ccc(Br)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Br-].
What is the InChIKey of (4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide?
The InChIKey is ACDTUQRSDDINLS-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H27BrP.BrH/c1-21-4-14-26(15-5-21)30(27-16-6-22(2)7-17-27,28-18-8-23(3)9-19-28)20-24-10-12-25(29)13-11-24;/h4-19H,20H2,1-3H3;1H/q+1;/p-1.
What are the key properties of (4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide?
(4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide has a molecular weight of 554.31 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide is sourced from PubChem (CID 18958202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).