1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum

C53H35N4OPtS2-3 — CID 176781787

IUPAC1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum
SMILESCc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c(-c5nc6ccccc6n5-c5ccc6c(c5)sc5ccccc56)cc5c4sc4ccccc45)ccc3)c3ccccc32)c(C)c1.[Pt]
InChIInChI=1S/C53H35N4OS2.Pt/c1-32-25-33(2)51(34(3)26-32)56-31-55(45-19-8-9-20-46(45)56)36-13-12-14-38(29-36)58-47-28-35(27-42-40-16-5-11-22-49(40)60-52(42)47)53-54-43-17-6-7-18-44(43)57(53)37-23-24-41-39-15-4-10-21-48(39)59-50(41)30-37;/h4-27,30-31H,1-3H3;/q-3;
InChIKeyKYNXADYYYARRBQ-UHFFFAOYSA-N
MW1003.10 g/mol
LogP15.15
Rot. Bonds6

About 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum

1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum (PubChem CID 176781787) has the molecular formula C53H35N4OPtS2-3 and a molecular weight of 1003.10 g/mol. Its IUPAC name is 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum.

Molecular Properties

Compound Name1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum
PubChem CID176781787
Molecular FormulaC53H35N4OPtS2-3
Molecular Weight1003.10 g/mol
Exact Mass1002.19
IUPAC Name1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum
SMILESCc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c(-c5nc6ccccc6n5-c5ccc6c(c5)sc5ccccc56)cc5c4sc4ccccc45)ccc3)c3ccccc32)c(C)c1.[Pt]
InChIInChI=1S/C53H35N4OS2.Pt/c1-32-25-33(2)51(34(3)26-32)56-31-55(45-19-8-9-20-46(45)56)36-13-12-14-38(29-36)58-47-28-35(27-42-40-16-5-11-22-49(40)60-52(42)47)53-54-43-17-6-7-18-44(43)57(53)37-23-24-41-39-15-4-10-21-48(39)59-50(41)30-37;/h4-27,30-31H,1-3H3;/q-3;
InChIKeyKYNXADYYYARRBQ-UHFFFAOYSA-N
XLogP15.15
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.10
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum with MolForge

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Related Compounds

5-[4-([1]Benzothiolo[3,2-c]carbazol-5-yl)-6-[4-(1-phenylbenzimidazol-2-yl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 144244596
N-[(E)-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]-[2-[2-(3-thia-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)phenyl]phenyl]methyl]methanimine
CID 155102483
8-(1-dibenzothiophen-3-ylbenzimidazol-2-yl)-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156672203
1,4-bis(2,6-dimethylphenyl)-2-[3-(2,6-dimethylphenyl)-4-methylbenzene-6-id-1-yl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-4,5-diphenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3,6-dihydro-2H-1-benzofuran-6-id-5-yl)-1-(2-methyl-6-phenylphenyl)imidazole;2-[3-(2,6-dimethylphenyl)-4-methoxybenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)
CID 158720155
CID 162487210
CID 162487210
CID 162487235
CID 162487235
5-[(1E,2E)-1-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3H-1-benzofuran-2-ylidene]penta-2,4-dien-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 166670281
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
CID 169288984
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
2-(5-dibenzothiophen-2-yl-2H-1-benzofuran-2-id-3-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 172079072
1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum
CID 176781996
CID 176782228
CID 176782228

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum?
The IUPAC name of 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum (CID 176781787) is 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum.
What is the SMILES notation for 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum?
The canonical SMILES for 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum is Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c(-c5nc6ccccc6n5-c5ccc6c(c5)sc5ccccc56)cc5c4sc4ccccc45)ccc3)c3ccccc32)c(C)c1.[Pt].
What is the InChIKey of 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum?
The InChIKey is KYNXADYYYARRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N4OS2.Pt/c1-32-25-33(2)51(34(3)26-32)56-31-55(45-19-8-9-20-46(45)56)36-13-12-14-38(29-36)58-47-28-35(27-42-40-16-5-11-22-49(40)60-52(42)47)53-54-43-17-6-7-18-44(43)57(53)37-23-24-41-39-15-4-10-21-48(39)59-50(41)30-37;/h4-27,30-31H,1-3H3;/q-3;.
What are the key properties of 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum?
1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum has a molecular weight of 1003.10 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-3-yl-2-[4-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-2-yl]benzimidazole;platinum is sourced from PubChem (CID 176781787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).