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

C55H51N4OPt-3 — CID 162449126

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

2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162449126) has the molecular formula C55H51N4OPt-3 and a molecular weight of 979.12 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162449126
• Molecular Formula: C55H51N4OPt-3
• Molecular Weight: 979.12 g/mol
• Exact Mass: 978.37
• IUPAC Name: 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2C=C(c3ccccc3)N(c3cccc(C(C)(C)C)c3)[CH-]2)c1.[Pt]
• InChI: InChI=1S/C55H51N4O.Pt/c1-53(2,3)40-22-17-23-43(30-40)58-37-57(36-51(58)38-18-11-9-12-19-38)44-31-42(54(4,5)6)32-46(34-44)60-45-26-27-48-47-24-15-16-25-49(47)59(50(48)35-45)52-33-41(28-29-56-52)55(7,8)39-20-13-10-14-21-39;/h9-33,36-37H,1-8H3;/q-3
• InChIKey: WTUOHPKTLRNHAP-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.12
LogP ≤ 5	13.93
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-tert-butyl-5-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162449126) is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2C=C(c3ccccc3)N(c3cccc(C(C)(C)C)c3)[CH-]2)c1.[Pt].

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

The InChIKey is WTUOHPKTLRNHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H51N4O.Pt/c1-53(2,3)40-22-17-23-43(30-40)58-37-57(36-51(58)38-18-11-9-12-19-38)44-31-42(54(4,5)6)32-46(34-44)60-45-26-27-48-47-24-15-16-25-49(47)59(50(48)35-45)52-33-41(28-29-56-52)55(7,8)39-20-13-10-14-21-39;/h9-33,36-37H,1-8H3;/q-3;.

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

2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 979.12 g/mol, XLogP of 13.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).