9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum

C62H47N4OPt-3 — CID 172545706

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum (PubChem CID 172545706) has the molecular formula C62H47N4OPt-3 and a molecular weight of 1059.16 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172545706
• Molecular Formula: C62H47N4OPt-3
• Molecular Weight: 1059.16 g/mol
• Exact Mass: 1058.34
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(c6c(-c7ccccc7)cccc6-c6ccccc6)[CH-]5)ccc4)ccc3c3ccc(C4(C)c5ccccc5-c5ccccc54)cc32)c1.[Pt]
• InChI: InChI=1S/C62H47N4O.Pt/c1-61(2,3)44-33-34-63-59(38-44)66-57-37-45(62(4)55-27-13-11-23-51(55)52-24-12-14-28-56(52)62)29-31-53(57)54-32-30-48(40-58(54)66)67-47-22-15-21-46(39-47)64-35-36-65(41-64)60-49(42-17-7-5-8-18-42)25-16-26-50(60)43-19-9-6-10-20-43;/h5-38,41H,1-4H3;/q-3
• InChIKey: JCXFOAOJKDZXRI-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1059.16
LogP ≤ 5	15.45
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum (CID 172545706) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(c6c(-c7ccccc7)cccc6-c6ccccc6)[CH-]5)ccc4)ccc3c3ccc(C4(C)c5ccccc5-c5ccccc54)cc32)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum?

The InChIKey is JCXFOAOJKDZXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N4O.Pt/c1-61(2,3)44-33-34-63-59(38-44)66-57-37-45(62(4)55-27-13-11-23-51(55)52-24-12-14-28-56(52)62)29-31-53(57)54-32-30-48(40-58(54)66)67-47-22-15-21-46(39-47)64-35-36-65(41-64)60-49(42-17-7-5-8-18-42)25-16-26-50(60)43-19-9-6-10-20-43;/h5-38,41H,1-4H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1059.16 g/mol, XLogP of 15.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-(9-methylfluoren-9-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).