2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C66H59N4OPt-3 — CID 162447163

About 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162447163) has the molecular formula C66H59N4OPt-3 and a molecular weight of 1119.30 g/mol. Its IUPAC name is 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162447163
• Molecular Formula: C66H59N4OPt-3
• Molecular Weight: 1119.30 g/mol
• Exact Mass: 1118.44
• IUPAC Name: 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CCC(CC)(c1ccccc1)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)c7ccccc7)c6)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c1.[Pt]
• InChI: InChI=1S/C66H59N4O.Pt/c1-8-66(9-2,49-26-17-12-18-27-49)50-36-37-67-63(42-50)70-59-35-32-47(46-22-13-10-14-23-46)38-58(59)57-34-33-56(44-62(57)70)71-55-29-21-28-53(43-55)68-45-69(61-31-20-19-30-60(61)68)54-40-51(64(3,4)5)39-52(41-54)65(6,7)48-24-15-11-16-25-48;/h10-42,45H,8-9H2,1-7H3;/q-3
• InChIKey: WRZUGESHJJKTDK-UHFFFAOYSA-N
• XLogP: 17.37
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.30
LogP ≤ 5	17.37
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 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162447163) is 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CCC(CC)(c1ccccc1)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)c7ccccc7)c6)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c1.[Pt].

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

The InChIKey is WRZUGESHJJKTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H59N4O.Pt/c1-8-66(9-2,49-26-17-12-18-27-49)50-36-37-67-63(42-50)70-59-35-32-47(46-22-13-10-14-23-46)38-58(59)57-34-33-56(44-62(57)70)71-55-29-21-28-53(43-55)68-45-69(61-31-20-19-30-60(61)68)54-40-51(64(3,4)5)39-52(41-54)65(6,7)48-24-15-11-16-25-48;/h10-42,45H,8-9H2,1-7H3;/q-3;.

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

2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1119.30 g/mol, XLogP of 17.37, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-[4-(3-phenylpentan-3-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162447163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).