2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))

C50H28N8O2Pt2 — CID 154592428

About 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))

2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (PubChem CID 154592428) has the molecular formula C50H28N8O2Pt2 and a molecular weight of 1162.98 g/mol. Its IUPAC name is 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)).

Molecular Properties

• Compound Name: 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
• PubChem CID: 154592428
• Molecular Formula: C50H28N8O2Pt2
• Molecular Weight: 1162.98 g/mol
• Exact Mass: 1162.16
• IUPAC Name: 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
• SMILES: [Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2c(c4ccc(Oc5[c-]c(-n6cc7ccccc7n6)ccc5)[c-]c4n2-c2ccccn2)n3-c2ccccn2)cccc1-n1cc2ccccc2n1
• InChI: InChI=1S/C50H28N8O2.2Pt/c1-3-17-43-33(11-1)31-55(53-43)35-13-9-15-37(27-35)59-39-21-23-41-45(29-39)57(47-19-5-7-25-51-47)50-42-24-22-40(30-46(42)58(49(41)50)48-20-6-8-26-52-48)60-38-16-10-14-36(28-38)56-32-34-12-2-4-18-44(34)54-56;;/h1-26,31-32H;;/q-4;2*+2
• InChIKey: BTEBUZIFQBPPTJ-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 89.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1162.98
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

The IUPAC name of 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (CID 154592428) is 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)).

What is the SMILES notation for 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

The canonical SMILES for 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) is [Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2c(c4ccc(Oc5[c-]c(-n6cc7ccccc7n6)ccc5)[c-]c4n2-c2ccccn2)n3-c2ccccn2)cccc1-n1cc2ccccc2n1.

What is the InChIKey of 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

The InChIKey is BTEBUZIFQBPPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N8O2.2Pt/c1-3-17-43-33(11-1)31-55(53-43)35-13-9-15-37(27-35)59-39-21-23-41-45(29-39)57(47-19-5-7-25-51-47)50-42-24-22-40(30-46(42)58(49(41)50)48-20-6-8-26-52-48)60-38-16-10-14-36(28-38)56-32-34-12-2-4-18-44(34)54-56;;/h1-26,31-32H;;/q-4;2*+2.

What are the key properties of 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) has a molecular weight of 1162.98 g/mol, XLogP of 10.98, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis[(3-indazol-2-ylbenzene-2-id-1-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) is sourced from PubChem (CID 154592428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).