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

C66H55N4OPt-3 — CID 172545628

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

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172545628) has the molecular formula C66H55N4OPt-3 and a molecular weight of 1115.27 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172545628
• Molecular Formula: C66H55N4OPt-3
• Molecular Weight: 1115.27 g/mol
• Exact Mass: 1114.40
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)[CH-]5)cc(C5(C)c6ccccc6-c6ccccc65)c4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C66H55N4O.Pt/c1-64(2,3)46-32-33-67-62(40-46)70-60-29-19-16-26-54(60)55-31-30-50(42-61(55)70)71-51-37-48(66(7)58-27-17-14-24-52(58)53-25-15-18-28-59(53)66)36-49(41-51)68-34-35-69(43-68)63-56(44-20-10-8-11-21-44)38-47(65(4,5)6)39-57(63)45-22-12-9-13-23-45;/h8-40,43H,1-7H3;/q-3
• InChIKey: OCHGXQDDUYAMRL-UHFFFAOYSA-N
• XLogP: 16.75
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1115.27
LogP ≤ 5	16.75
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-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172545628) is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)[CH-]5)cc(C5(C)c6ccccc6-c6ccccc65)c4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is OCHGXQDDUYAMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H55N4O.Pt/c1-64(2,3)46-32-33-67-62(40-46)70-60-29-19-16-26-54(60)55-31-30-50(42-61(55)70)71-51-37-48(66(7)58-27-17-14-24-52(58)53-25-15-18-28-59(53)66)36-49(41-51)68-34-35-69(43-68)63-56(44-20-10-8-11-21-44)38-47(65(4,5)6)39-57(63)45-22-12-9-13-23-45;/h8-40,43H,1-7H3;/q-3;.

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

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1115.27 g/mol, XLogP of 16.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]-5-(9-methylfluoren-9-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).