5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))

C52H44N8O2Pt2+4 — CID 154592451

About 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))

5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (PubChem CID 154592451) has the molecular formula C52H44N8O2Pt2+4 and a molecular weight of 1203.13 g/mol. Its IUPAC name is 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)).

Molecular Properties

• Compound Name: 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
• PubChem CID: 154592451
• Molecular Formula: C52H44N8O2Pt2+4
• Molecular Weight: 1203.13 g/mol
• Exact Mass: 1202.29
• IUPAC Name: 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
• SMILES: C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c([N+]7=C=[N+](C)C=C7)ccc6)[c-]c5n3-c3cc(C(C)(C)C)ccn3)n4-c3cc(C(C)(C)C)ccn3)ccc2)C=C1.[Pt+2].[Pt+2]
• InChI: InChI=1S/C52H44N8O2.2Pt/c1-51(2,3)35-19-21-53-47(27-35)59-45-31-41(61-39-13-9-11-37(29-39)57-25-23-55(7)33-57)15-17-43(45)50-49(59)44-18-16-42(62-40-14-10-12-38(30-40)58-26-24-56(8)34-58)32-46(44)60(50)48-28-36(20-22-54-48)52(4,5)6;;/h9-28H,1-8H3;;/q;2*+2
• InChIKey: OJUDGGZFUDNDBX-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 66.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1203.13
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

The IUPAC name of 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (CID 154592451) is 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)).

What is the SMILES notation for 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

The canonical SMILES for 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c([N+]7=C=[N+](C)C=C7)ccc6)[c-]c5n3-c3cc(C(C)(C)C)ccn3)n4-c3cc(C(C)(C)C)ccn3)ccc2)C=C1.[Pt+2].[Pt+2].

What is the InChIKey of 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

The InChIKey is OJUDGGZFUDNDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N8O2.2Pt/c1-51(2,3)35-19-21-53-47(27-35)59-45-31-41(61-39-13-9-11-37(29-39)57-25-23-55(7)33-57)15-17-43(45)50-49(59)44-18-16-42(62-40-14-10-12-38(30-40)58-26-24-56(8)34-58)32-46(44)60(50)48-28-36(20-22-54-48)52(4,5)6;;/h9-28H,1-8H3;;/q;2*+2.

What are the key properties of 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) has a molecular weight of 1203.13 g/mol, XLogP of 10.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis[[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) is sourced from PubChem (CID 154592451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).