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

C43H45N4O2PtS-3 — CID 155606686

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

2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 155606686) has the molecular formula C43H45N4O2PtS-3 and a molecular weight of 877.00 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155606686
• Molecular Formula: C43H45N4O2PtS-3
• Molecular Weight: 877.00 g/mol
• Exact Mass: 876.29
• IUPAC Name: 2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)ccc21.[Pt]
• InChI: InChI=1S/C43H45N4O2S.Pt/c1-41(2,3)28-15-18-37-39(23-28)46(27-45(37)10)31-21-30(43(7,8)9)22-33(25-31)50(48,49)32-16-17-35-34-13-11-12-14-36(34)47(38(35)26-32)40-24-29(19-20-44-40)42(4,5)6;/h11-24,27H,1-10H3;/q-3
• InChIKey: KNFKAIHVUJFAAY-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 58.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.00
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 155606686) is 2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CN1[CH-]N(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)ccc21.[Pt].

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

The InChIKey is KNFKAIHVUJFAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45N4O2S.Pt/c1-41(2,3)28-15-18-37-39(23-28)46(27-45(37)10)31-21-30(43(7,8)9)22-33(25-31)50(48,49)32-16-17-35-34-13-11-12-14-36(34)47(38(35)26-32)40-24-29(19-20-44-40)42(4,5)6;/h11-24,27H,1-10H3;/q-3;.

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

2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 877.00 g/mol, XLogP of 10.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155606686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).