2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C64H61N4OPt-3 — CID 162449053

About 2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162449053) has the molecular formula C64H61N4OPt-3 and a molecular weight of 1097.30 g/mol. Its IUPAC name is 2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162449053
• Molecular Formula: C64H61N4OPt-3
• Molecular Weight: 1097.30 g/mol
• Exact Mass: 1096.45
• IUPAC Name: 2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(-c4ccccc4)c3)C=C2C(C)(C)c2ccccc2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C64H61N4O.Pt/c1-61(2,3)49-36-50(62(4,5)6)38-52(37-49)67-43-66(42-59(67)64(9,10)47-26-18-13-19-27-47)51-34-45(44-22-14-11-15-23-44)35-54(40-51)69-53-30-31-56-55-28-20-21-29-57(55)68(58(56)41-53)60-39-48(32-33-65-60)63(7,8)46-24-16-12-17-25-46;/h11-39,42-43H,1-10H3;/q-3
• InChIKey: UPKIORPGNOAZHC-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1097.30
LogP ≤ 5	16.42
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-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162449053) is 2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-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-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(-c4ccccc4)c3)C=C2C(C)(C)c2ccccc2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is UPKIORPGNOAZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H61N4O.Pt/c1-61(2,3)49-36-50(62(4,5)6)38-52(37-49)67-43-66(42-59(67)64(9,10)47-26-18-13-19-27-47)51-34-45(44-22-14-11-15-23-44)35-54(40-51)69-53-30-31-56-55-28-20-21-29-57(55)68(58(56)41-53)60-39-48(32-33-65-60)63(7,8)46-24-16-12-17-25-46;/h11-39,42-43H,1-10H3;/q-3;.

What are the key properties of 2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1097.30 g/mol, XLogP of 16.42, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).