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

C76H77N4OPt-3 — CID 162448846

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

2-[3-[4-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (PubChem CID 162448846) has the molecular formula C76H77N4OPt-3 and a molecular weight of 1257.56 g/mol. Its IUPAC name is 2-[3-[4-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[4-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162448846
• Molecular Formula: C76H77N4OPt-3
• Molecular Weight: 1257.56 g/mol
• Exact Mass: 1256.58
• IUPAC Name: 2-[3-[4-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2C=C(C(C)(C)C)N(c3cc(-c4ccccc4)cc(C(C)(C)c4ccccc4)c3)[CH-]2)c1.[Pt]
• InChI: InChI=1S/C76H77N4O.Pt/c1-50(2)64-31-24-32-65(51(3)4)72(64)54-41-60(78-48-70(74(8,9)10)79(49-78)61-40-53(52-25-18-15-19-26-52)39-59(43-61)76(13,14)56-29-22-17-23-30-56)46-63(42-54)81-62-34-35-66-67-44-58(75(11,12)55-27-20-16-21-28-55)33-36-68(67)80(69(66)47-62)71-45-57(37-38-77-71)73(5,6)7;/h15-45,48-51H,1-14H3;/q-3
• InChIKey: ZJYUQECDYBGSNW-UHFFFAOYSA-N
• XLogP: 20.43
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1257.56
LogP ≤ 5	20.43
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-[4-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[4-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (CID 162448846) is 2-[3-[4-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[4-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2C=C(C(C)(C)C)N(c3cc(-c4ccccc4)cc(C(C)(C)c4ccccc4)c3)[CH-]2)c1.[Pt].

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

The InChIKey is ZJYUQECDYBGSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H77N4O.Pt/c1-50(2)64-31-24-32-65(51(3)4)72(64)54-41-60(78-48-70(74(8,9)10)79(49-78)61-40-53(52-25-18-15-19-26-52)39-59(43-61)76(13,14)56-29-22-17-23-30-56)46-63(42-54)81-62-34-35-66-67-44-58(75(11,12)55-27-20-16-21-28-55)33-36-68(67)80(69(66)47-62)71-45-57(37-38-77-71)73(5,6)7;/h15-45,48-51H,1-14H3;/q-3;.

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

2-[3-[4-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1257.56 g/mol, XLogP of 20.43, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).