4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum

C₃₅H₂₉N₄Pt-3 — CID 155643251

About 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum

4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum (PubChem CID 155643251) has the molecular formula C₃₅H₂₉N₄Pt-3 and a molecular weight of 700.72 g/mol. Its IUPAC name is 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum
• PubChem CID: 155643251
• Molecular Formula: C₃₅H₂₉N₄Pt-3
• Molecular Weight: 700.72 g/mol
• Exact Mass: 700.21
• IUPAC Name: 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum
• SMILES: CN1C=CN(c2[c-]c3c(-c4[c-]c(-n5c6ccccc6c6c(C(C)(C)C)ccnc65)ccc4)cccc3cc2)[CH-]1.[Pt]
• InChI: InChI=1S/C35H29N4.Pt/c1-35(2,3)31-17-18-36-34-33(31)29-12-5-6-14-32(29)39(34)27-11-7-10-25(21-27)28-13-8-9-24-15-16-26(22-30(24)28)38-20-19-37(4)23-38;/h5-20,23H,1-4H3;/q-3
• InChIKey: MCZAKVRSXVCNGS-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.72
LogP ≤ 5	8.24
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 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum?

The IUPAC name of 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum (CID 155643251) is 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum.

What is the SMILES notation for 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum?

The canonical SMILES for 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum is CN1C=CN(c2[c-]c3c(-c4[c-]c(-n5c6ccccc6c6c(C(C)(C)C)ccnc65)ccc4)cccc3cc2)[CH-]1.[Pt].

What is the InChIKey of 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum?

The InChIKey is MCZAKVRSXVCNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N4.Pt/c1-35(2,3)31-17-18-36-34-33(31)29-12-5-6-14-32(29)39(34)27-11-7-10-25(21-27)28-13-8-9-24-15-16-26(22-30(24)28)38-20-19-37(4)23-38;/h5-20,23H,1-4H3;/q-3;.

What are the key properties of 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum?

4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum has a molecular weight of 700.72 g/mol, XLogP of 8.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-9-[3-[7-(3-methyl-2H-imidazol-2-id-1-yl)-8H-naphthalen-8-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum is sourced from PubChem (CID 155643251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155643251 — identifiers, structure, computed properties (public domain)

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