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

C50H43N4Pt-3 — CID 164700877

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

2-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 164700877) has the molecular formula C50H43N4Pt-3 and a molecular weight of 895.00 g/mol. Its IUPAC name is 2-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 164700877
• Molecular Formula: C50H43N4Pt-3
• Molecular Weight: 895.00 g/mol
• Exact Mass: 894.32
• IUPAC Name: 2-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(Cc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3ccccc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C50H43N4.Pt/c1-49(2,3)39-29-36(30-41(32-39)53-34-52(40-18-10-7-11-19-40)45-22-14-15-23-46(45)53)28-35-24-25-43-42-20-12-13-21-44(42)54(47(43)31-35)48-33-38(26-27-51-48)50(4,5)37-16-8-6-9-17-37;/h6-27,29,32-34H,28H2,1-5H3;/q-3
• InChIKey: VPUAAWHWXYRPRK-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.00
LogP ≤ 5	12.40
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-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 164700877) is 2-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Cc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3ccccc3)c3ccccc32)c1.[Pt].

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

The InChIKey is VPUAAWHWXYRPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N4.Pt/c1-49(2,3)39-29-36(30-41(32-39)53-34-52(40-18-10-7-11-19-40)45-22-14-15-23-46(45)53)28-35-24-25-43-42-20-12-13-21-44(42)54(47(43)31-35)48-33-38(26-27-51-48)50(4,5)37-16-8-6-9-17-37;/h6-27,29,32-34H,28H2,1-5H3;/q-3;.

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

2-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 895.00 g/mol, XLogP of 12.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164700877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).