tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide

C38H66Br2OP2 — CID 57341645

IUPACtris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
SMILESCC(C)C[P+](Cc1ccc(Oc2ccc(C[P+](CC(C)C)(CC(C)C)CC(C)C)cc2)cc1)(CC(C)C)CC(C)C.[Br-].[Br-]
InChIInChI=1S/C38H66OP2.2BrH/c1-29(2)21-40(22-30(3)4,23-31(5)6)27-35-13-17-37(18-14-35)39-38-19-15-36(16-20-38)28-41(24-32(7)8,25-33(9)10)26-34(11)12;;/h13-20,29-34H,21-28H2,1-12H3;2*1H/q+2;;/p-2
InChIKeyIZKDWEZZTMJPEQ-UHFFFAOYSA-L
MW760.70 g/mol
LogP6.46
Rot. Bonds18

About tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide

tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide (PubChem CID 57341645) has the molecular formula C38H66Br2OP2 and a molecular weight of 760.70 g/mol. Its IUPAC name is tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide.

Molecular Properties

Compound Nametris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
PubChem CID57341645
Molecular FormulaC38H66Br2OP2
Molecular Weight760.70 g/mol
Exact Mass758.30
IUPAC Nametris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
SMILESCC(C)C[P+](Cc1ccc(Oc2ccc(C[P+](CC(C)C)(CC(C)C)CC(C)C)cc2)cc1)(CC(C)C)CC(C)C.[Br-].[Br-]
InChIInChI=1S/C38H66OP2.2BrH/c1-29(2)21-40(22-30(3)4,23-31(5)6)27-35-13-17-37(18-14-35)39-38-19-15-36(16-20-38)28-41(24-32(7)8,25-33(9)10)26-34(11)12;;/h13-20,29-34H,21-28H2,1-12H3;2*1H/q+2;;/p-2
InChIKeyIZKDWEZZTMJPEQ-UHFFFAOYSA-L
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.70
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzene, 1,1'-oxybis[4-methyl-
CID 74098
Benzyl p-tolyl ether
CID 70036
Photoanethole
CID 641296
Benzene, 1,1'-oxybis(4-(1,1,3,3-tetramethylbutyl)-
CID 66867
4,4'-Dimethoxystilbene
CID 20828
p,p'-Dimethoxystilbene
CID 1550828
p-Phenoxytoluene
CID 74351
(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene
CID 11140953
4-Ethoxystilbene
CID 20245531
1-(Tert-butoxy)-4-ethenylbenzene
CID 577531
(4-Ethoxybenzyl)triphenylphosphonium chloride
CID 18314543
Benzene, hexadecylphenoxy-
CID 110332

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide?
The IUPAC name of tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide (CID 57341645) is tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide.
What is the SMILES notation for tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide?
The canonical SMILES for tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide is CC(C)C[P+](Cc1ccc(Oc2ccc(C[P+](CC(C)C)(CC(C)C)CC(C)C)cc2)cc1)(CC(C)C)CC(C)C.[Br-].[Br-].
What is the InChIKey of tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide?
The InChIKey is IZKDWEZZTMJPEQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H66OP2.2BrH/c1-29(2)21-40(22-30(3)4,23-31(5)6)27-35-13-17-37(18-14-35)39-38-19-15-36(16-20-38)28-41(24-32(7)8,25-33(9)10)26-34(11)12;;/h13-20,29-34H,21-28H2,1-12H3;2*1H/q+2;;/p-2.
What are the key properties of tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide?
tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide has a molecular weight of 760.70 g/mol, XLogP of 6.46, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide is sourced from PubChem (CID 57341645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).