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

C77H54N5OPt-3 — CID 172545611

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

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 172545611) has the molecular formula C77H54N5OPt-3 and a molecular weight of 1260.39 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-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]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 172545611
• Molecular Formula: C77H54N5OPt-3
• Molecular Weight: 1260.39 g/mol
• Exact Mass: 1259.40
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-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)c4ccccc4n5-c4cc(C5c6ccccc6-c6ccccc65)ccn4)cc(-n4c5ccccc5c5ccccc54)c3)c3ccccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C77H54N5O.Pt/c1-77(2,3)53-43-66(50-22-6-4-7-23-50)76(67(44-53)51-24-8-5-9-25-51)80-49-79(71-36-20-21-37-72(71)80)54-45-55(81-68-33-17-14-28-60(68)61-29-15-18-34-69(61)81)47-57(46-54)83-56-38-39-63-62-30-16-19-35-70(62)82(73(63)48-56)74-42-52(40-41-78-74)75-64-31-12-10-26-58(64)59-27-11-13-32-65(59)75;/h4-45,47,49,75H,1-3H3;/q-3
• InChIKey: OJVDRJQJBPWMGS-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1260.39
LogP ≤ 5	19.87
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]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-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]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 172545611) is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-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]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-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]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-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)c4ccccc4n5-c4cc(C5c6ccccc6-c6ccccc65)ccn4)cc(-n4c5ccccc5c5ccccc54)c3)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]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is OJVDRJQJBPWMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54N5O.Pt/c1-77(2,3)53-43-66(50-22-6-4-7-23-50)76(67(44-53)51-24-8-5-9-25-51)80-49-79(71-36-20-21-37-72(71)80)54-45-55(81-68-33-17-14-28-60(68)61-29-15-18-34-69(61)81)47-57(46-54)83-56-38-39-63-62-30-16-19-35-70(62)82(73(63)48-56)74-42-52(40-41-78-74)75-64-31-12-10-26-58(64)59-27-11-13-32-65(59)75;/h4-45,47,49,75H,1-3H3;/q-3;.

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

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1260.39 g/mol, XLogP of 19.87, 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]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).