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

C78H56N5OPt-3 — CID 172545817

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

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-carbazol-9-yl-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 172545817) has the molecular formula C78H56N5OPt-3 and a molecular weight of 1274.42 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-carbazol-9-yl-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-carbazol-9-yl-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 172545817
• Molecular Formula: C78H56N5OPt-3
• Molecular Weight: 1274.42 g/mol
• Exact Mass: 1273.41
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-carbazol-9-yl-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-c2ccccc2)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccc(-n6c7ccccc7c7ccccc76)cc4n5-c4cc(C5(C)c6ccccc6-c6ccccc65)ccn4)ccc3)c3ccccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C78H56N5O.Pt/c1-77(2,3)54-44-65(51-22-7-5-8-23-51)76(66(45-54)52-24-9-6-10-25-52)81-50-80(71-36-19-20-37-72(71)81)55-26-21-27-57(47-55)84-58-39-41-64-63-40-38-56(82-69-34-17-13-30-61(69)62-31-14-18-35-70(62)82)48-73(63)83(74(64)49-58)75-46-53(42-43-79-75)78(4)67-32-15-11-28-59(67)60-29-12-16-33-68(60)78;/h5-46,48,50H,1-4H3;/q-3
• InChIKey: YPZZCDAQTLKSKI-UHFFFAOYSA-N
• XLogP: 20.04
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1274.42
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-carbazol-9-yl-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-carbazol-9-yl-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 172545817) is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-carbazol-9-yl-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-carbazol-9-yl-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-c2ccccc2)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccc(-n6c7ccccc7c7ccccc76)cc4n5-c4cc(C5(C)c6ccccc6-c6ccccc65)ccn4)ccc3)c3ccccc32)c(-c2ccccc2)c1.[Pt].

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

The InChIKey is YPZZCDAQTLKSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N5O.Pt/c1-77(2,3)54-44-65(51-22-7-5-8-23-51)76(66(45-54)52-24-9-6-10-25-52)81-50-80(71-36-19-20-37-72(71)81)55-26-21-27-57(47-55)84-58-39-41-64-63-40-38-56(82-69-34-17-13-30-61(69)62-31-14-18-35-70(62)82)48-73(63)83(74(64)49-58)75-46-53(42-43-79-75)78(4)67-32-15-11-28-59(67)60-29-12-16-33-68(60)78;/h5-46,48,50H,1-4H3;/q-3;.

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

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-carbazol-9-yl-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1274.42 g/mol, XLogP of 20.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-7-carbazol-9-yl-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).