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

C49H47N4OPt-3 — CID 162448135

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

2-[5-[3-(3-tert-butylphenyl)-2H-imidazol-2-id-1-yl]-2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 162448135) has the molecular formula C49H47N4OPt-3 and a molecular weight of 903.02 g/mol. Its IUPAC name is 2-[5-[3-(3-tert-butylphenyl)-2H-imidazol-2-id-1-yl]-2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[5-[3-(3-tert-butylphenyl)-2H-imidazol-2-id-1-yl]-2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162448135
• Molecular Formula: C49H47N4OPt-3
• Molecular Weight: 903.02 g/mol
• Exact Mass: 902.34
• IUPAC Name: 2-[5-[3-(3-tert-butylphenyl)-2H-imidazol-2-id-1-yl]-2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cccc(N2C=CN(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c(C(C)(C)c4ccccc4)cc3)[CH-]2)c1.[Pt]
• InChI: InChI=1S/C49H47N4O.Pt/c1-47(2,3)35-17-14-18-37(29-35)51-27-28-52(33-51)38-21-24-42(49(7,8)34-15-10-9-11-16-34)45(31-38)54-39-22-23-41-40-19-12-13-20-43(40)53(44(41)32-39)46-30-36(25-26-50-46)48(4,5)6;/h9-30,33H,1-8H3;/q-3
• InChIKey: KEDUVVODWSQZBH-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.02
LogP ≤ 5	12.41
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-[5-[3-(3-tert-butylphenyl)-2H-imidazol-2-id-1-yl]-2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[5-[3-(3-tert-butylphenyl)-2H-imidazol-2-id-1-yl]-2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 162448135) is 2-[5-[3-(3-tert-butylphenyl)-2H-imidazol-2-id-1-yl]-2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[5-[3-(3-tert-butylphenyl)-2H-imidazol-2-id-1-yl]-2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cccc(N2C=CN(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c(C(C)(C)c4ccccc4)cc3)[CH-]2)c1.[Pt].

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

The InChIKey is KEDUVVODWSQZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47N4O.Pt/c1-47(2,3)35-17-14-18-37(29-35)51-27-28-52(33-51)38-21-24-42(49(7,8)34-15-10-9-11-16-34)45(31-38)54-39-22-23-41-40-19-12-13-20-43(40)53(44(41)32-39)46-30-36(25-26-50-46)48(4,5)6;/h9-30,33H,1-8H3;/q-3;.

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

2-[5-[3-(3-tert-butylphenyl)-2H-imidazol-2-id-1-yl]-2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 903.02 g/mol, XLogP of 12.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-(3-tert-butylphenyl)-2H-imidazol-2-id-1-yl]-2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).