benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide)

C120H87ClN13OPt4- — CID 159249859

IUPACbenzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide)
SMILESCC.Cl[Pt+].Oc1ccccc1.[Pt+2].[Pt+2].[Pt].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccccc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1
InChIInChI=1S/4C22H14N3.C18H14N.C6H6O.C6H5.C2H6.ClH.4Pt/c4*1-2-10-18-15(7-1)16-8-5-9-17(22(16)25-18)19-12-6-13-21(24-19)20-11-3-4-14-23-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2;;;;;/h4*1-14H;1-2,4-15H;1-5,7H;1-5H;1-2H3;1H;;;;/q5*-1;;-1;;;;3*+2/p-1
InChIKeyCMQPZLGNPFSQPM-UHFFFAOYSA-M
MW2542.87 g/mol
LogP29.84
Rot. Bonds11

About benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide)

benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide) (PubChem CID 159249859) has the molecular formula C120H87ClN13OPt4- and a molecular weight of 2542.87 g/mol. Its IUPAC name is benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide).

Molecular Properties

Compound Namebenzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide)
PubChem CID159249859
Molecular FormulaC120H87ClN13OPt4-
Molecular Weight2542.87 g/mol
Exact Mass2540.54
IUPAC Namebenzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide)
SMILESCC.Cl[Pt+].Oc1ccccc1.[Pt+2].[Pt+2].[Pt].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccccc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1
InChIInChI=1S/4C22H14N3.C18H14N.C6H6O.C6H5.C2H6.ClH.4Pt/c4*1-2-10-18-15(7-1)16-8-5-9-17(22(16)25-18)19-12-6-13-21(24-19)20-11-3-4-14-23-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2;;;;;/h4*1-14H;1-2,4-15H;1-5,7H;1-5H;1-2H3;1H;;;;/q5*-1;;-1;;;;3*+2/p-1
InChIKeyCMQPZLGNPFSQPM-UHFFFAOYSA-M
XLogP29.84
TPSA182.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002542.87
LogP ≤ 529.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide) with MolForge

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Related Compounds

2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157253808
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);1-methyl-4-phenylbenzene-5-ide;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157533924
CID 157822037
CID 157822037
CID 157832357
CID 157832357
CID 158078780
CID 158078780
2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;carbazol-9-ide;chloronickel;nickel;nickel(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol
CID 158108413
CID 158261028
CID 158261028
CID 158404317
CID 158404317
CID 158443916
CID 158443916
2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 158540929
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 159132405
1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;8,9-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;iridium;8-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine;1-pyridin-2-ylethenol;tris(6H-pyrido[2,1-a]isoindol-5-ium);8-(trifluoromethyl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 159290198

Frequently Asked Questions

What is the IUPAC name of benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide)?
The IUPAC name of benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide) (CID 159249859) is benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide).
What is the SMILES notation for benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide)?
The canonical SMILES for benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide) is CC.Cl[Pt+].Oc1ccccc1.[Pt+2].[Pt+2].[Pt].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccccc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1.c1ccc(-c2cccc(-c3cccc4c3[n-]c3ccccc34)n2)nc1.
What is the InChIKey of benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide)?
The InChIKey is CMQPZLGNPFSQPM-UHFFFAOYSA-M. The full InChI is InChI=1S/4C22H14N3.C18H14N.C6H6O.C6H5.C2H6.ClH.4Pt/c4*1-2-10-18-15(7-1)16-8-5-9-17(22(16)25-18)19-12-6-13-21(24-19)20-11-3-4-14-23-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2;;;;;/h4*1-14H;1-2,4-15H;1-5,7H;1-5H;1-2H3;1H;;;;/q5*-1;;-1;;;;3*+2/p-1.
What are the key properties of benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide)?
benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide) has a molecular weight of 2542.87 g/mol, XLogP of 29.84, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chloroplatinum(1+);N,N-diphenylaniline;ethane;phenol;platinum;bis(platinum(2+));tetrakis(1-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide) is sourced from PubChem (CID 159249859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).