chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide

C46H62ClF5P2Pt — CID 11320642

IUPACchloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide
SMILESC1=C/CCCCCCP(c2ccccc2)CCCCCC/C=C/CCCCCCP(c2ccccc2)CCCCCC/1.Cl[Pt+].Fc1[c-]c(F)c(F)c(F)c1F
InChIInChI=1S/C40H62P2.C6F5.ClH.Pt/c1-2-6-10-14-18-28-36-42(40-33-25-22-26-34-40)38-30-20-16-12-8-4-3-7-11-15-19-29-37-41(35-27-17-13-9-5-1)39-31-23-21-24-32-39;7-2-1-3(8)5(10)6(11)4(2)9;;/h1-4,21-26,31-34H,5-20,27-30,35-38H2;;1H;/q;-1;;+2/p-1/b2-1+,4-3+;;;
InChIKeyVTAQXNYMOIKBFM-VYDFLQMFSA-M
MW1002.47 g/mol
LogP15.40
Rot. Bonds2

About chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide

chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide (PubChem CID 11320642) has the molecular formula C46H62ClF5P2Pt and a molecular weight of 1002.47 g/mol. Its IUPAC name is chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide.

Molecular Properties

Compound Namechloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide
PubChem CID11320642
Molecular FormulaC46H62ClF5P2Pt
Molecular Weight1002.47 g/mol
Exact Mass1001.36
IUPAC Namechloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide
SMILESC1=C/CCCCCCP(c2ccccc2)CCCCCC/C=C/CCCCCCP(c2ccccc2)CCCCCC/1.Cl[Pt+].Fc1[c-]c(F)c(F)c(F)c1F
InChIInChI=1S/C40H62P2.C6F5.ClH.Pt/c1-2-6-10-14-18-28-36-42(40-33-25-22-26-34-40)38-30-20-16-12-8-4-3-7-11-15-19-29-37-41(35-27-17-13-9-5-1)39-31-23-21-24-32-39;7-2-1-3(8)5(10)6(11)4(2)9;;/h1-4,21-26,31-34H,5-20,27-30,35-38H2;;1H;/q;-1;;+2/p-1/b2-1+,4-3+;;;
InChIKeyVTAQXNYMOIKBFM-VYDFLQMFSA-M
XLogP15.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.47
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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1,5-diphenyl-1,5-diphosphocane
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nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene
CID 87365885
3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CID 101434382
carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)
CID 135047757
3-methyl-1-phenyl-1,4,7-triphosphecane
CID 16686339
cyclooctene;triphenylphosphane
CID 175429598
(8E,23E,37E)-1,16-diphosphabicyclo[14.14.14]tetratetraconta-8,23,37-triene
CID 11262849
benzene;cyclohexane;cyclohexene;fluorobenzene;1-fluoro-3-methylbenzene
CID 159130985
carbanide;1,2,3,4,5-pentafluorobenzene-6-ide;yttrium
CID 59920259
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide?
The IUPAC name of chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide (CID 11320642) is chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide.
What is the SMILES notation for chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide?
The canonical SMILES for chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide is C1=C/CCCCCCP(c2ccccc2)CCCCCC/C=C/CCCCCCP(c2ccccc2)CCCCCC/1.Cl[Pt+].Fc1[c-]c(F)c(F)c(F)c1F.
What is the InChIKey of chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide?
The InChIKey is VTAQXNYMOIKBFM-VYDFLQMFSA-M. The full InChI is InChI=1S/C40H62P2.C6F5.ClH.Pt/c1-2-6-10-14-18-28-36-42(40-33-25-22-26-34-40)38-30-20-16-12-8-4-3-7-11-15-19-29-37-41(35-27-17-13-9-5-1)39-31-23-21-24-32-39;7-2-1-3(8)5(10)6(11)4(2)9;;/h1-4,21-26,31-34H,5-20,27-30,35-38H2;;1H;/q;-1;;+2/p-1/b2-1+,4-3+;;;.
What are the key properties of chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide?
chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide has a molecular weight of 1002.47 g/mol, XLogP of 15.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide is sourced from PubChem (CID 11320642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).