9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum

C68H43N6OPtS-3 — CID 169289128

IUPAC9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum
SMILESCc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)cc5sc6ccccc6c45)ccc3c3ccccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt]
InChIInChI=1S/C68H43N6OS.Pt/c1-42-36-66(69-40-52(42)67-60(72-53-24-9-3-18-45(53)46-19-4-10-25-54(46)72)31-17-32-61(67)73-55-26-11-5-20-47(55)48-21-6-12-27-56(48)73)74-57-28-13-7-22-49(57)50-35-34-44(39-62(50)74)75-63-37-43(71-41-70(2)58-29-14-15-30-59(58)71)38-65-68(63)51-23-8-16-33-64(51)76-65;/h3-36,38,40-41H,1-2H3;/q-3;
InChIKeyWGLAARBWFXYDLV-UHFFFAOYSA-N
MW1187.28 g/mol
LogP17.81
Rot. Bonds7

About 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 169289128) has the molecular formula C68H43N6OPtS-3 and a molecular weight of 1187.28 g/mol. Its IUPAC name is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum
PubChem CID169289128
Molecular FormulaC68H43N6OPtS-3
Molecular Weight1187.28 g/mol
Exact Mass1186.29
IUPAC Name9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum
SMILESCc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)cc5sc6ccccc6c45)ccc3c3ccccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt]
InChIInChI=1S/C68H43N6OS.Pt/c1-42-36-66(69-40-52(42)67-60(72-53-24-9-3-18-45(53)46-19-4-10-25-54(46)72)31-17-32-61(67)73-55-26-11-5-20-47(55)48-21-6-12-27-56(48)73)74-57-28-13-7-22-49(57)50-35-34-44(39-62(50)74)75-63-37-43(71-41-70(2)58-29-14-15-30-59(58)71)38-65-68(63)51-23-8-16-33-64(51)76-65;/h3-36,38,40-41H,1-2H3;/q-3;
InChIKeyWGLAARBWFXYDLV-UHFFFAOYSA-N
XLogP17.81
TPSA43.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001187.28
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum with MolForge

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Related Compounds

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-(trifluoromethyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169289006
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 153490575
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 153490649
2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 154594749
1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum
CID 154594763
4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum
CID 154594904
4-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum
CID 154594918
7-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-propan-2-ylthieno[2,3-c]pyridine;platinum
CID 154594926

Frequently Asked Questions

What is the IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum (CID 169289128) is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-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-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)cc5sc6ccccc6c45)ccc3c3ccccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt].
What is the InChIKey of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?
The InChIKey is WGLAARBWFXYDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N6OS.Pt/c1-42-36-66(69-40-52(42)67-60(72-53-24-9-3-18-45(53)46-19-4-10-25-54(46)72)31-17-32-61(67)73-55-26-11-5-20-47(55)48-21-6-12-27-56(48)73)74-57-28-13-7-22-49(57)50-35-34-44(39-62(50)74)75-63-37-43(71-41-70(2)58-29-14-15-30-59(58)71)38-65-68(63)51-23-8-16-33-64(51)76-65;/h3-36,38,40-41H,1-2H3;/q-3;.
What are the key properties of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 1187.28 g/mol, XLogP of 17.81, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzothiophen-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).