[(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum

C48H36Cl2P2Pt+2 — CID 51035227

IUPAC[(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum
SMILESCl[Pt]Cl.c1ccc([PH+](c2ccccc2)c2cccc3/c2=c2/c([PH+](c4ccccc4)c4ccccc4)ccc/c2=c2\cccc\c2=c2/cccc/c2=3)cc1
InChIInChI=1S/C48H34P2.2ClH.Pt/c1-5-19-35(20-6-1)49(36-21-7-2-8-22-36)45-33-17-31-43-41-29-15-13-27-39(41)40-28-14-16-30-42(40)44-32-18-34-46(48(44)47(43)45)50(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;/h1-34H;2*1H;/q;;;+2/b40-39-,43-41-,44-42-,48-47-;;;
InChIKeyDCJDHCLJAQDBPK-NKUBAAJASA-N
MW940.75 g/mol
LogP9.51
Rot. Bonds6

About [(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum

[(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum (PubChem CID 51035227) has the molecular formula C48H36Cl2P2Pt+2 and a molecular weight of 940.75 g/mol. Its IUPAC name is [(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum.

Molecular Properties

Compound Name[(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum
PubChem CID51035227
Molecular FormulaC48H36Cl2P2Pt+2
Molecular Weight940.75 g/mol
Exact Mass939.13
IUPAC Name[(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum
SMILESCl[Pt]Cl.c1ccc([PH+](c2ccccc2)c2cccc3/c2=c2/c([PH+](c4ccccc4)c4ccccc4)ccc/c2=c2\cccc\c2=c2/cccc/c2=3)cc1
InChIInChI=1S/C48H34P2.2ClH.Pt/c1-5-19-35(20-6-1)49(36-21-7-2-8-22-36)45-33-17-31-43-41-29-15-13-27-39(41)40-28-14-16-30-42(40)44-32-18-34-46(48(44)47(43)45)50(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;/h1-34H;2*1H;/q;;;+2/b40-39-,43-41-,44-42-,48-47-;;;
InChIKeyDCJDHCLJAQDBPK-NKUBAAJASA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.75
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum?
The IUPAC name of [(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum (CID 51035227) is [(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum.
What is the SMILES notation for [(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum?
The canonical SMILES for [(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum is Cl[Pt]Cl.c1ccc([PH+](c2ccccc2)c2cccc3/c2=c2/c([PH+](c4ccccc4)c4ccccc4)ccc/c2=c2\cccc\c2=c2/cccc/c2=3)cc1.
What is the InChIKey of [(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum?
The InChIKey is DCJDHCLJAQDBPK-NKUBAAJASA-N. The full InChI is InChI=1S/C48H34P2.2ClH.Pt/c1-5-19-35(20-6-1)49(36-21-7-2-8-22-36)45-33-17-31-43-41-29-15-13-27-39(41)40-28-14-16-30-42(40)44-32-18-34-46(48(44)47(43)45)50(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;/h1-34H;2*1H;/q;;;+2/b40-39-,43-41-,44-42-,48-47-;;;.
What are the key properties of [(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum?
[(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum has a molecular weight of 940.75 g/mol, XLogP of 9.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aZ,8aZ,12aZ,16aZ)-16-diphenylphosphaniumyltetraphenylen-1-yl]-diphenylphosphanium;dichloroplatinum is sourced from PubChem (CID 51035227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).