9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum

C58H43N4OPtS-3 — CID 162696317

IUPAC9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum
SMILES[Pt].[c-]1c(N2[CH-]N(c3ccccc3)c3ccccc32)cc2sc3ccccc3c2c1Oc1[c-]c2c(cc1)c1ccccc1n2-c1cc(C2(c3ccccc3)C3CC4CC(C3)CC2C4)ccn1
InChIInChI=1S/C58H43N4OS.Pt/c1-3-13-39(14-4-1)58(41-28-37-27-38(30-41)31-42(58)29-37)40-25-26-59-56(32-40)62-49-19-9-7-17-46(49)47-24-23-45(35-52(47)62)63-53-33-44(34-55-57(53)48-18-8-12-22-54(48)64-55)61-36-60(43-15-5-2-6-16-43)50-20-10-11-21-51(50)61;/h1-26,32,34,36-38,41-42H,27-31H2;/q-3;
InChIKeyIHVFKPKRHGHHAK-UHFFFAOYSA-N
MW1039.15 g/mol
LogP15.09
Rot. Bonds7

About 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum

9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 162696317) has the molecular formula C58H43N4OPtS-3 and a molecular weight of 1039.15 g/mol. Its IUPAC name is 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum
PubChem CID162696317
Molecular FormulaC58H43N4OPtS-3
Molecular Weight1039.15 g/mol
Exact Mass1038.28
IUPAC Name9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum
SMILES[Pt].[c-]1c(N2[CH-]N(c3ccccc3)c3ccccc32)cc2sc3ccccc3c2c1Oc1[c-]c2c(cc1)c1ccccc1n2-c1cc(C2(c3ccccc3)C3CC4CC(C3)CC2C4)ccn1
InChIInChI=1S/C58H43N4OS.Pt/c1-3-13-39(14-4-1)58(41-28-37-27-38(30-41)31-42(58)29-37)40-25-26-59-56(32-40)62-49-19-9-7-17-46(49)47-24-23-45(35-52(47)62)63-53-33-44(34-55-57(53)48-18-8-12-22-54(48)64-55)61-36-60(43-15-5-2-6-16-43)50-20-10-11-21-51(50)61;/h1-26,32,34,36-38,41-42H,27-31H2;/q-3;
InChIKeyIHVFKPKRHGHHAK-UHFFFAOYSA-N
XLogP15.09
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.15
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide
CID 140953772
10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
CID 140954978
11-[[6-(3H-dibenzothiophen-3-id-4-yl)-2-pyridinyl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 145840103
N-[4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum
CID 153431695
N-[4-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum
CID 153431791
N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum
CID 153431903
N-[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum
CID 153431972
CID 155616480
CID 155616480
CID 155616502
CID 155616502
CID 155616525
CID 155616525
CID 155616537
CID 155616537
CID 155616647
CID 155616647

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum (CID 162696317) is 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(N2[CH-]N(c3ccccc3)c3ccccc32)cc2sc3ccccc3c2c1Oc1[c-]c2c(cc1)c1ccccc1n2-c1cc(C2(c3ccccc3)C3CC4CC(C3)CC2C4)ccn1.
What is the InChIKey of 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?
The InChIKey is IHVFKPKRHGHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N4OS.Pt/c1-3-13-39(14-4-1)58(41-28-37-27-38(30-41)31-42(58)29-37)40-25-26-59-56(32-40)62-49-19-9-7-17-46(49)47-24-23-45(35-52(47)62)63-53-33-44(34-55-57(53)48-18-8-12-22-54(48)64-55)61-36-60(43-15-5-2-6-16-43)50-20-10-11-21-51(50)61;/h1-26,32,34,36-38,41-42H,27-31H2;/q-3;.
What are the key properties of 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?
9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 1039.15 g/mol, XLogP of 15.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-2-[[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162696317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).