9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum

C58H41N5Pt-2 — CID 162457416

About 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum (PubChem CID 162457416) has the molecular formula C58H41N5Pt-2 and a molecular weight of 1003.08 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162457416
• Molecular Formula: C58H41N5Pt-2
• Molecular Weight: 1003.08 g/mol
• Exact Mass: 1002.30
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(-c4c5[n-]c(-n6[c-][n+](-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)ccc-5c5ccccc45)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C58H41N5.Pt/c1-58(2,3)41-33-34-59-54(36-41)63-49-26-13-12-22-45(49)46-30-29-40(35-52(46)63)55-47-23-11-10-21-44(47)48-31-32-53(60-56(48)55)61-37-62(51-28-15-14-27-50(51)61)57-42(38-17-6-4-7-18-38)24-16-25-43(57)39-19-8-5-9-20-39;/h4-34,36H,1-3H3;/q-2
• InChIKey: MVGDRWXZKWCGNB-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 40.73 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.08
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum (CID 162457416) is 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(-c4c5[n-]c(-n6[c-][n+](-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)ccc-5c5ccccc45)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum?

The InChIKey is MVGDRWXZKWCGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N5.Pt/c1-58(2,3)41-33-34-59-54(36-41)63-49-26-13-12-22-45(49)46-30-29-40(35-52(46)63)55-47-23-11-10-21-44(47)48-31-32-53(60-56(48)55)61-37-62(51-28-15-14-27-50(51)61)57-42(38-17-6-4-7-18-38)24-16-25-43(57)39-19-8-5-9-20-39;/h4-34,36H,1-3H3;/q-2;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum has a molecular weight of 1003.08 g/mol, XLogP of 13.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]indeno[2,1-b]pyridin-1-id-9-yl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162457416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).