2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)

C61H47N5Pt — CID 176642805

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642805) has the molecular formula C61H47N5Pt and a molecular weight of 1045.16 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176642805
• Molecular Formula: C61H47N5Pt
• Molecular Weight: 1045.16 g/mol
• Exact Mass: 1044.35
• IUPAC Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)c(-c2cc3c4ccc(-c5cccc6c5nc(-c5cccc7c5[n-]c5ccccc57)n6-c5ccccc5)[c-]c4n(-c4cc(C(C)(C)c5ccccc5)ccn4)c3cc2C)c(C)c1.[Pt+2]
• InChI: InChI=1S/C61H47N5.Pt/c1-37-31-39(3)57(40(4)32-37)50-36-51-47-28-27-41(34-55(47)66(54(51)33-38(50)2)56-35-43(29-30-62-56)61(5,6)42-17-9-7-10-18-42)45-22-16-26-53-59(45)64-60(65(53)44-19-11-8-12-20-44)49-24-15-23-48-46-21-13-14-25-52(46)63-58(48)49;/h7-33,35-36H,1-6H3;/q-2;+2
• InChIKey: MWVXMUMWIOAKRR-UHFFFAOYSA-N
• XLogP: 15.14
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.16
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) (CID 176642805) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)c(-c2cc3c4ccc(-c5cccc6c5nc(-c5cccc7c5[n-]c5ccccc57)n6-c5ccccc5)[c-]c4n(-c4cc(C(C)(C)c5ccccc5)ccn4)c3cc2C)c(C)c1.[Pt+2].

What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is MWVXMUMWIOAKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N5.Pt/c1-37-31-39(3)57(40(4)32-37)50-36-51-47-28-27-41(34-55(47)66(54(51)33-38(50)2)56-35-43(29-30-62-56)61(5,6)42-17-9-7-10-18-42)45-22-16-26-53-59(45)64-60(65(53)44-19-11-8-12-20-44)49-24-15-23-48-46-21-13-14-25-52(46)63-58(48)49;/h7-33,35-36H,1-6H3;/q-2;+2.

What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1045.16 g/mol, XLogP of 15.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).