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

C59H53N4Pt-3 — CID 164700987

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

2-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 164700987) has the molecular formula C59H53N4Pt-3 and a molecular weight of 1013.18 g/mol. Its IUPAC name is 2-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 164700987
• Molecular Formula: C59H53N4Pt-3
• Molecular Weight: 1013.18 g/mol
• Exact Mass: 1012.39
• IUPAC Name: 2-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)[c-]c(C(C)(C)c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c1.[Pt]
• InChI: InChI=1S/C59H53N4.Pt/c1-57(2,3)42-32-33-60-55(38-42)63-51-27-16-15-24-49(51)50-31-30-43(37-54(50)63)59(7,8)45-34-44(58(4,5)6)35-46(36-45)61-39-62(53-29-18-17-28-52(53)61)56-47(40-20-11-9-12-21-40)25-19-26-48(56)41-22-13-10-14-23-41;/h9-35,38-39H,1-8H3;/q-3
• InChIKey: COLTWCGNXPQZGL-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.18
LogP ≤ 5	15.44
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-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 164700987) is 2-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)[c-]c(C(C)(C)c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c1.[Pt].

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

The InChIKey is COLTWCGNXPQZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H53N4.Pt/c1-57(2,3)42-32-33-60-55(38-42)63-51-27-16-15-24-49(51)50-31-30-43(37-54(50)63)59(7,8)45-34-44(58(4,5)6)35-46(36-45)61-39-62(53-29-18-17-28-52(53)61)56-47(40-20-11-9-12-21-40)25-19-26-48(56)41-22-13-10-14-23-41;/h9-35,38-39H,1-8H3;/q-3;.

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

2-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1013.18 g/mol, XLogP of 15.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164700987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).