hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide

C248H198Br12Cd12N6O20P9Pt26-3 — CID 139042924

IUPAChexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/9C24H20P.6C2H3N.20CO.12BrH.12Cd.26Pt/c9*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;6*1-2-3;20*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h9*1-20H;6*1H3;;;;;;;;;;;;;;;;;;;;;12*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q9*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-12
InChIKeyKDSOBGMVDXBBKY-UHFFFAOYSA-B
MW11240.92 g/mol
LogP5.14
Rot. Bonds36

About hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide

hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide (PubChem CID 139042924) has the molecular formula C248H198Br12Cd12N6O20P9Pt26-3 and a molecular weight of 11240.92 g/mol. Its IUPAC name is hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide.

Molecular Properties

Compound Namehexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide
PubChem CID139042924
Molecular FormulaC248H198Br12Cd12N6O20P9Pt26-3
Molecular Weight11240.92 g/mol
Exact Mass11241.18
IUPAC Namehexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/9C24H20P.6C2H3N.20CO.12BrH.12Cd.26Pt/c9*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;6*1-2-3;20*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h9*1-20H;6*1H3;;;;;;;;;;;;;;;;;;;;;12*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q9*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-12
InChIKeyKDSOBGMVDXBBKY-UHFFFAOYSA-B
XLogP5.14
TPSA540.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms333
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 50011240.92
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 76575044
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CID 139134309
bis(acetonitrile);1,1'-biphenyl
CID 175366291
tetraphenylphosphanium;trifluorophosphane
CID 175419552
acetonitrile;phenylsulfanylbenzene
CID 175483964
cyano(triphenyl)phosphanium bromide
CID 155068571
tetraphenylphosphanium isocyanate
CID 23311576
triphenyl-(4-propan-2-ylphenyl)phosphanium chloride
CID 157172125
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
dichlororuthenium;tris(tetraphenylphosphanium)
CID 173166250
acetonitrile;benzene;hydrate
CID 18177286

Frequently Asked Questions

What is the IUPAC name of hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide?
The IUPAC name of hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide (CID 139042924) is hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide.
What is the SMILES notation for hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide?
The canonical SMILES for hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide?
The InChIKey is KDSOBGMVDXBBKY-UHFFFAOYSA-B. The full InChI is InChI=1S/9C24H20P.6C2H3N.20CO.12BrH.12Cd.26Pt/c9*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;6*1-2-3;20*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h9*1-20H;6*1H3;;;;;;;;;;;;;;;;;;;;;12*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q9*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-12.
What are the key properties of hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide?
hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide has a molecular weight of 11240.92 g/mol, XLogP of 5.14, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(acetonitrile);cadmium;carbon monoxide;platinum;nonakis(tetraphenylphosphanium);dodecabromide is sourced from PubChem (CID 139042924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).