7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C55H61N4OPt-3 — CID 155652500

About 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 155652500) has the molecular formula C55H61N4OPt-3 and a molecular weight of 989.20 g/mol. Its IUPAC name is 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155652500
• Molecular Formula: C55H61N4OPt-3
• Molecular Weight: 989.20 g/mol
• Exact Mass: 988.45
• IUPAC Name: 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(C(C)(C)C)cc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3cc(C(C)(C)C)ccc32)c1.[Pt]
• InChI: InChI=1S/C55H61N4O.Pt/c1-35(2)36-26-42(58-34-57(41-17-15-16-37(28-41)52(3,4)5)50-30-39(54(9,10)11)19-23-47(50)58)32-44(27-36)60-43-20-22-46-45-21-18-38(53(6,7)8)29-48(45)59(49(46)33-43)51-31-40(24-25-56-51)55(12,13)14;/h15-31,34-35H,1-14H3;/q-3
• InChIKey: MMZLMBIWBCWCGT-UHFFFAOYSA-N
• XLogP: 15.29
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.20
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 155652500) is 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(C(C)(C)C)cc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3cc(C(C)(C)C)ccc32)c1.[Pt].

What is the InChIKey of 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is MMZLMBIWBCWCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H61N4O.Pt/c1-35(2)36-26-42(58-34-57(41-17-15-16-37(28-41)52(3,4)5)50-30-39(54(9,10)11)19-23-47(50)58)32-44(27-36)60-43-20-22-46-45-21-18-38(53(6,7)8)29-48(45)59(49(46)33-43)51-31-40(24-25-56-51)55(12,13)14;/h15-31,34-35H,1-14H3;/q-3;.

What are the key properties of 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 989.20 g/mol, XLogP of 15.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155652500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).