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

C72H53N6OPt-3 — CID 169289059

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

6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 169289059) has the molecular formula C72H53N6OPt-3 and a molecular weight of 1213.33 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 169289059
• Molecular Formula: C72H53N6OPt-3
• Molecular Weight: 1213.33 g/mol
• Exact Mass: 1212.39
• IUPAC Name: 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt]
• InChI: InChI=1S/C72H53N6O.Pt/c1-46-40-70(73-44-59(46)71-67(76-60-24-10-6-20-53(60)54-21-7-11-25-61(54)76)30-17-31-68(71)77-62-26-12-8-22-55(62)56-23-9-13-27-63(56)77)78-64-39-34-48(47-32-35-49(36-33-47)72(2,3)4)41-58(64)57-38-37-52(43-69(57)78)79-51-19-16-18-50(42-51)75-45-74(5)65-28-14-15-29-66(65)75;/h6-41,44-45H,1-5H3;/q-3
• InChIKey: MRDBINMGKVKYCA-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 43.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.33
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 169289059) is 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt].

What is the InChIKey of 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is MRDBINMGKVKYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H53N6O.Pt/c1-46-40-70(73-44-59(46)71-67(76-60-24-10-6-20-53(60)54-21-7-11-25-61(54)76)30-17-31-68(71)77-62-26-12-8-22-55(62)56-23-9-13-27-63(56)77)78-64-39-34-48(47-32-35-49(36-33-47)72(2,3)4)41-58(64)57-38-37-52(43-69(57)78)79-51-19-16-18-50(42-51)75-45-74(5)65-28-14-15-29-66(65)75;/h6-41,44-45H,1-5H3;/q-3;.

What are the key properties of 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1213.33 g/mol, XLogP of 18.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).