2,7-bis[(5-pyrazol-1-yl-4H-pyridin-4-id-3-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))

C40H22N10O2Pt2 — CID 154592483

About 2,7-bis[(5-pyrazol-1-yl-4H-pyridin-4-id-3-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))

2,7-bis[(5-pyrazol-1-yl-4H-pyridin-4-id-3-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (PubChem CID 154592483) has the molecular formula C40H22N10O2Pt2 and a molecular weight of 1064.84 g/mol. Its IUPAC name is 2,7-bis[(5-pyrazol-1-yl-4H-pyridin-4-id-3-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[(5-pyrazol-1-yl-4H-pyridin-4-id-3-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
• PubChem CID: 154592483
• Molecular Formula: C40H22N10O2Pt2
• Molecular Weight: 1064.84 g/mol
• Exact Mass: 1064.12
• IUPAC Name: 2,7-bis[(5-pyrazol-1-yl-4H-pyridin-4-id-3-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(-n6cccn6)cnc5)[c-]c4n2-c2ccccn2)n3-c2ccccn2)cncc1-n1cccn1
• InChI: InChI=1S/C40H22N10O2.2Pt/c1-3-13-43-37(7-1)49-35-21-29(51-31-19-27(23-41-25-31)47-17-5-15-45-47)9-11-33(35)40-39(49)34-12-10-30(22-36(34)50(40)38-8-2-4-14-44-38)52-32-20-28(24-42-26-32)48-18-6-16-46-48;;/h1-18,23-26H;;/q-4;2*+2
• InChIKey: CLUYLLIRTXKKSY-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 115.52 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1064.84
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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[(5-pyrazol-1-yl-4H-pyridin-4-id-3-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[(5-pyrazol-1-yl-4H-pyridin-4-id-3-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (CID 154592483) is 2,7-bis[(5-pyrazol-1-yl-4H-pyridin-4-id-3-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[(5-pyrazol-1-yl-4H-pyridin-4-id-3-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[(5-pyrazol-1-yl-4H-pyridin-4-id-3-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(-n6cccn6)cnc5)[c-]c4n2-c2ccccn2)n3-c2ccccn2)cncc1-n1cccn1.

What is the InChIKey of 2,7-bis[(5-pyrazol-1-yl-4H-pyridin-4-id-3-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

The InChIKey is CLUYLLIRTXKKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N10O2.2Pt/c1-3-13-43-37(7-1)49-35-21-29(51-31-19-27(23-41-25-31)47-17-5-15-45-47)9-11-33(35)40-39(49)34-12-10-30(22-36(34)50(40)38-8-2-4-14-44-38)52-32-20-28(24-42-26-32)48-18-6-16-46-48;;/h1-18,23-26H;;/q-4;2*+2.

What are the key properties of 2,7-bis[(5-pyrazol-1-yl-4H-pyridin-4-id-3-yl)oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

2,7-bis[(5-pyrazol-1-yl-4H-pyridin-4-id-3-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 1064.84 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis[(5-pyrazol-1-yl-4H-pyridin-4-id-3-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 154592483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).