cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium

C46H38P2+2 — CID 102345877

IUPACcyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium
SMILESC1=CC([P+](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc([P+](c4ccccc4)(c4ccccc4)C4C=CC=C4)cc3)cc2)C=C1
InChIInChI=1S/C46H38P2/c1-5-17-39(18-6-1)47(43-25-13-14-26-43,40-19-7-2-8-20-40)45-33-29-37(30-34-45)38-31-35-46(36-32-38)48(44-27-15-16-28-44,41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-36,43-44H/q+2
InChIKeyAQKKNEDDHXYMHQ-UHFFFAOYSA-N
MW652.76 g/mol
LogP8.93
Rot. Bonds9

About cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium

cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium (PubChem CID 102345877) has the molecular formula C46H38P2+2 and a molecular weight of 652.76 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium
PubChem CID102345877
Molecular FormulaC46H38P2+2
Molecular Weight652.76 g/mol
Exact Mass652.24
IUPAC Namecyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium
SMILESC1=CC([P+](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc([P+](c4ccccc4)(c4ccccc4)C4C=CC=C4)cc3)cc2)C=C1
InChIInChI=1S/C46H38P2/c1-5-17-39(18-6-1)47(43-25-13-14-26-43,40-19-7-2-8-20-40)45-33-29-37(30-34-45)38-31-35-46(36-32-38)48(44-27-15-16-28-44,41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-36,43-44H/q+2
InChIKeyAQKKNEDDHXYMHQ-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium with MolForge

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Related Compounds

cycloprop-2-en-1-yl(triphenyl)phosphanium
CID 3452771
triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium
CID 11083310
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide
CID 11147088
(2,3-diphenylcycloprop-2-en-1-yl)-triphenylphosphanium tetrafluoroborate
CID 17389459
cyclodecyl(triphenyl)phosphanium
CID 156526903
CID 155673971
CID 155673971
benzene;tris(1,1'-biphenyl)
CID 162155747
[cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene
CID 12713629
6-(2-cyclopenta-2,4-dien-1-ylethynyl)azulene
CID 101439445
cyclopentyl(triphenyl)phosphanium;phosphane;iodide
CID 174786242
cyclohexyl(triphenyl)phosphanium chloride
CID 18407754

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium?
The IUPAC name of cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium (CID 102345877) is cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium is C1=CC([P+](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc([P+](c4ccccc4)(c4ccccc4)C4C=CC=C4)cc3)cc2)C=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium?
The InChIKey is AQKKNEDDHXYMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38P2/c1-5-17-39(18-6-1)47(43-25-13-14-26-43,40-19-7-2-8-20-40)45-33-29-37(30-34-45)38-31-35-46(36-32-38)48(44-27-15-16-28-44,41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-36,43-44H/q+2.
What are the key properties of cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium?
cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium has a molecular weight of 652.76 g/mol, XLogP of 8.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium is sourced from PubChem (CID 102345877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).