7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum

C58H47N4OPtTe-3 — CID 167378676

IUPAC7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)c3[te]ccc3n2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1.[Pt]
InChIInChI=1S/C58H47N4OTe.Pt/c1-57(2,3)40-32-41(60-37-61(52-27-16-15-26-51(52)60)55-44(38-18-9-7-10-19-38)23-17-24-45(55)39-20-11-8-12-21-39)34-43(33-40)63-42-28-29-47-46-22-13-14-25-50(46)62(53(47)35-42)54-36-48(58(4,5)6)56-49(59-54)30-31-64-56;/h7-33,36-37H,1-6H3;/q-3;
InChIKeySMJAVVONQATPQI-UHFFFAOYSA-N
MW1138.72 g/mol
LogP15.12
Rot. Bonds7

About 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum

7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum (PubChem CID 167378676) has the molecular formula C58H47N4OPtTe-3 and a molecular weight of 1138.72 g/mol. Its IUPAC name is 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum.

Molecular Properties

Compound Name7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum
PubChem CID167378676
Molecular FormulaC58H47N4OPtTe-3
Molecular Weight1138.72 g/mol
Exact Mass1140.25
IUPAC Name7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)c3[te]ccc3n2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1.[Pt]
InChIInChI=1S/C58H47N4OTe.Pt/c1-57(2,3)40-32-41(60-37-61(52-27-16-15-26-51(52)60)55-44(38-18-9-7-10-19-38)23-17-24-45(55)39-20-11-8-12-21-39)34-43(33-40)63-42-28-29-47-46-22-13-14-25-50(46)62(53(47)35-42)54-36-48(58(4,5)6)56-49(59-54)30-31-64-56;/h7-33,36-37H,1-6H3;/q-3;
InChIKeySMJAVVONQATPQI-UHFFFAOYSA-N
XLogP15.12
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001138.72
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum?
The IUPAC name of 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum (CID 167378676) is 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum.
What is the SMILES notation for 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum?
The canonical SMILES for 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)c3[te]ccc3n2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1.[Pt].
What is the InChIKey of 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum?
The InChIKey is SMJAVVONQATPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N4OTe.Pt/c1-57(2,3)40-32-41(60-37-61(52-27-16-15-26-51(52)60)55-44(38-18-9-7-10-19-38)23-17-24-45(55)39-20-11-8-12-21-39)34-43(33-40)63-42-28-29-47-46-22-13-14-25-50(46)62(53(47)35-42)54-36-48(58(4,5)6)56-49(59-54)30-31-64-56;/h7-33,36-37H,1-6H3;/q-3;.
What are the key properties of 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum?
7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum has a molecular weight of 1138.72 g/mol, XLogP of 15.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum is sourced from PubChem (CID 167378676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).