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

C56H46N5OPt-3 — CID 165150162

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

2-[3-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 165150162) has the molecular formula C56H46N5OPt-3 and a molecular weight of 1000.10 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 165150162
• Molecular Formula: C56H46N5OPt-3
• Molecular Weight: 1000.10 g/mol
• Exact Mass: 999.34
• IUPAC Name: 2-[3-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C56H46N5O.Pt/c1-55(2,3)37-28-29-57-54(32-37)61-49-21-13-10-18-44(49)46-26-25-42(35-53(46)61)62-43-31-38(56(4,5)6)30-41(33-43)59-36-58(51-22-14-15-23-52(51)59)40-24-27-50-47(34-40)45-19-11-12-20-48(45)60(50)39-16-8-7-9-17-39;/h7-32,34,36H,1-6H3;/q-3
• InChIKey: OPCZBYOKLGLHSB-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.10
LogP ≤ 5	14.67
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-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 165150162) is 2-[3-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc32)c1.[Pt].

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

The InChIKey is OPCZBYOKLGLHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N5O.Pt/c1-55(2,3)37-28-29-57-54(32-37)61-49-21-13-10-18-44(49)46-26-25-42(35-53(46)61)62-43-31-38(56(4,5)6)30-41(33-43)59-36-58(51-22-14-15-23-52(51)59)40-24-27-50-47(34-40)45-19-11-12-20-48(45)60(50)39-16-8-7-9-17-39;/h7-32,34,36H,1-6H3;/q-3;.

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

2-[3-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1000.10 g/mol, XLogP of 14.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 165150162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).