3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium

C35H40P2+2 — CID 4605784

IUPAC3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium
SMILESCC(C)=CC[P+](C[P+](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H40P2/c1-30(2)25-27-36(32-17-9-5-10-18-32,33-19-11-6-12-20-33)29-37(28-26-31(3)4,34-21-13-7-14-22-34)35-23-15-8-16-24-35/h5-26H,27-29H2,1-4H3/q+2
InChIKeyWAVDUBXTZDIJKX-UHFFFAOYSA-N
MW522.65 g/mol
LogP8.21
Rot. Bonds10

About 3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium

3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium (PubChem CID 4605784) has the molecular formula C35H40P2+2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium.

Molecular Properties

Compound Name3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium
PubChem CID4605784
Molecular FormulaC35H40P2+2
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Name3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium
SMILESCC(C)=CC[P+](C[P+](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H40P2/c1-30(2)25-27-36(32-17-9-5-10-18-32,33-19-11-6-12-20-33)29-37(28-26-31(3)4,34-21-13-7-14-22-34)35-23-15-8-16-24-35/h5-26H,27-29H2,1-4H3/q+2
InChIKeyWAVDUBXTZDIJKX-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium?
The IUPAC name of 3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium (CID 4605784) is 3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium.
What is the SMILES notation for 3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium?
The canonical SMILES for 3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium is CC(C)=CC[P+](C[P+](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium?
The InChIKey is WAVDUBXTZDIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40P2/c1-30(2)25-27-36(32-17-9-5-10-18-32,33-19-11-6-12-20-33)29-37(28-26-31(3)4,34-21-13-7-14-22-34)35-23-15-8-16-24-35/h5-26H,27-29H2,1-4H3/q+2.
What are the key properties of 3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium?
3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium has a molecular weight of 522.65 g/mol, XLogP of 8.21, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enyl-[[3-methylbut-2-enyl(diphenyl)phosphaniumyl]methyl]-diphenylphosphanium is sourced from PubChem (CID 4605784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).