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

C61H40N7OPt-3 — CID 169289074

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

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[5-(3-methyl-2H-benzimidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 169289074) has the molecular formula C61H40N7OPt-3 and a molecular weight of 1082.12 g/mol. Its IUPAC name is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[5-(3-methyl-2H-benzimidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[5-(3-methyl-2H-benzimidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 169289074
• Molecular Formula: C61H40N7OPt-3
• Molecular Weight: 1082.12 g/mol
• Exact Mass: 1081.30
• IUPAC Name: 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[5-(3-methyl-2H-benzimidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)cnc4)ccc3c3ccccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt]
• InChI: InChI=1S/C61H40N7O.Pt/c1-39-32-60(68-54-25-12-7-20-47(54)48-31-30-41(34-59(48)68)69-42-33-40(35-62-36-42)65-38-64(2)55-26-13-14-27-56(55)65)63-37-49(39)61-57(66-50-21-8-3-16-43(50)44-17-4-9-22-51(44)66)28-15-29-58(61)67-52-23-10-5-18-45(52)46-19-6-11-24-53(46)67;/h3-32,35-38H,1-2H3;/q-3
• InChIKey: IFGNVBISKNRFHL-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 56.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.12
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[5-(3-methyl-2H-benzimidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum (CID 169289074) is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[5-(3-methyl-2H-benzimidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[5-(3-methyl-2H-benzimidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)cnc4)ccc3c3ccccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt].

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

The InChIKey is IFGNVBISKNRFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N7O.Pt/c1-39-32-60(68-54-25-12-7-20-47(54)48-31-30-41(34-59(48)68)69-42-33-40(35-62-36-42)65-38-64(2)55-26-13-14-27-56(55)65)63-37-49(39)61-57(66-50-21-8-3-16-43(50)44-17-4-9-22-51(44)66)28-15-29-58(61)67-52-23-10-5-18-45(52)46-19-6-11-24-53(46)67;/h3-32,35-38H,1-2H3;/q-3;.

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

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[5-(3-methyl-2H-benzimidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 1082.12 g/mol, XLogP of 14.84, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[5-(3-methyl-2H-benzimidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).