2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum

C57H49N4OPt-3 — CID 164704624

About 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum

2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 164704624) has the molecular formula C57H49N4OPt-3 and a molecular weight of 1001.12 g/mol. Its IUPAC name is 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 164704624
• Molecular Formula: C57H49N4OPt-3
• Molecular Weight: 1001.12 g/mol
• Exact Mass: 1000.36
• IUPAC Name: 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(C(C)C)cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(c(C(C)C)c4)c4ccccc4n5-c4cc(-c5ccccc5-c5ccccc5)ccn4)ccc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C57H49N4O.Pt/c1-37(2)42-29-43(38(3)4)31-45(30-42)60-36-59(53-25-14-15-26-54(53)60)44-19-16-20-46(33-44)62-47-34-51(39(5)6)57-50-23-12-13-24-52(50)61(55(57)35-47)56-32-41(27-28-58-56)49-22-11-10-21-48(49)40-17-8-7-9-18-40;/h7-32,34,36-39H,1-6H3;/q-3
• InChIKey: QTUAMKXCOXVXDL-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.12
LogP ≤ 5	15.68
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-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum (CID 164704624) is 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum is CC(C)c1cc(C(C)C)cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(c(C(C)C)c4)c4ccccc4n5-c4cc(-c5ccccc5-c5ccccc5)ccn4)ccc3)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is QTUAMKXCOXVXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N4O.Pt/c1-37(2)42-29-43(38(3)4)31-45(30-42)60-36-59(53-25-14-15-26-54(53)60)44-19-16-20-46(33-44)62-47-34-51(39(5)6)57-50-23-12-13-24-52(50)61(55(57)35-47)56-32-41(27-28-58-56)49-22-11-10-21-48(49)40-17-8-7-9-18-40;/h7-32,34,36-39H,1-6H3;/q-3;.

What are the key properties of 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum?

2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1001.12 g/mol, XLogP of 15.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164704624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).