1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum

C37H28N3OPtS2-3 — CID 177293133

IUPAC1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum
SMILES[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(-c5cc(C(C)(C)C)ccn5)c5cc6sccc6cc5cc4s3)ccc2)c2ccccc21.[Pt]
InChIInChI=1S/C37H28N3OS2.Pt/c1-37(2,3)25-12-14-38-30(18-25)36-28-20-33-23(13-15-42-33)16-24(28)17-34-29(36)21-35(43-34)41-27-9-7-8-26(19-27)40-22-39(4)31-10-5-6-11-32(31)40;/h5-18,20,22H,1-4H3;/q-3;/i4D3;
InChIKeyYLADNYLZXZGCQS-NXIGQQGZSA-N
MW792.88 g/mol
LogP10.73
Rot. Bonds5

About 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum

1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum (PubChem CID 177293133) has the molecular formula C37H28N3OPtS2-3 and a molecular weight of 792.88 g/mol. Its IUPAC name is 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum.

Molecular Properties

Compound Name1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum
PubChem CID177293133
Molecular FormulaC37H28N3OPtS2-3
Molecular Weight792.88 g/mol
Exact Mass792.15
IUPAC Name1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum
SMILES[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(-c5cc(C(C)(C)C)ccn5)c5cc6sccc6cc5cc4s3)ccc2)c2ccccc21.[Pt]
InChIInChI=1S/C37H28N3OS2.Pt/c1-37(2,3)25-12-14-38-30(18-25)36-28-20-33-23(13-15-42-33)16-24(28)17-34-29(36)21-35(43-34)41-27-9-7-8-26(19-27)40-22-39(4)31-10-5-6-11-32(31)40;/h5-18,20,22H,1-4H3;/q-3;/i4D3;
InChIKeyYLADNYLZXZGCQS-NXIGQQGZSA-N
XLogP10.73
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.88
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum with MolForge

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Related Compounds

1-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-thieno[3,2-g][1]benzothiol-3-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum
CID 177293077
4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[3,2-f][1]benzothiol-3-id-4-yl]pyridine;platinum
CID 177293154
4-tert-butyl-2-[2-[3-[4,5-dimethyl-3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum
CID 177293103
4-tert-butyl-2-[2-[3-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-thieno[2,3-g][1]benzothiol-3-id-4-yl]pyridine;platinum
CID 177293277
8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum
CID 155633512
4-tert-butyl-2-[7-[3-(3-phenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6H-[1]benzothiolo[4,5-g][1]benzothiol-6-id-5-yl]pyridine;platinum
CID 177293163
9-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 164931627
4-tert-butyl-2-[2-[3-[3-(2,6-diphenylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-1-benzothiophen-3-id-4-yl]pyridine;platinum
CID 177293180
9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 153490660
5-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6H-imidazo[1,2-a]pyridin-6-ide;platinum
CID 155633566
9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 168836099
4-tert-butyl-2-[7-[3-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenoxy]-[1]benzothiolo[6,5-f][1]benzothiol-9-yl]pyridine
CID 177293317

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?
The IUPAC name of 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum (CID 177293133) is 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum.
What is the SMILES notation for 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?
The canonical SMILES for 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum is [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(-c5cc(C(C)(C)C)ccn5)c5cc6sccc6cc5cc4s3)ccc2)c2ccccc21.[Pt].
What is the InChIKey of 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?
The InChIKey is YLADNYLZXZGCQS-NXIGQQGZSA-N. The full InChI is InChI=1S/C37H28N3OS2.Pt/c1-37(2,3)25-12-14-38-30(18-25)36-28-20-33-23(13-15-42-33)16-24(28)17-34-29(36)21-35(43-34)41-27-9-7-8-26(19-27)40-22-39(4)31-10-5-6-11-32(31)40;/h5-18,20,22H,1-4H3;/q-3;/i4D3;.
What are the key properties of 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?
1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum has a molecular weight of 792.88 g/mol, XLogP of 10.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-8H-[1]benzothiolo[6,5-f][1]benzothiol-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 177293133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).