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

C54H32N8O2Pt2 — CID 154592462

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

5,10-bis(4-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-2-id-1-yl)oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (PubChem CID 154592462) has the molecular formula C54H32N8O2Pt2 and a molecular weight of 1215.06 g/mol. Its IUPAC name is 5,10-bis(4-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-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-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-2-id-1-yl)oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
• PubChem CID: 154592462
• Molecular Formula: C54H32N8O2Pt2
• Molecular Weight: 1215.06 g/mol
• Exact Mass: 1214.19
• IUPAC Name: 5,10-bis(4-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-2-id-1-yl)oxy]-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)ccc5)[c-]c4n2-c2cc(-c4ccccc4)ccn2)n3-c2cc(-c3ccccc3)ccn2)cccc1-n1cccn1
• InChI: InChI=1S/C54H32N8O2.2Pt/c1-3-11-37(12-4-1)39-23-27-55-51(31-39)61-49-35-45(63-43-17-7-15-41(33-43)59-29-9-25-57-59)19-21-47(49)54-53(61)48-22-20-46(64-44-18-8-16-42(34-44)60-30-10-26-58-60)36-50(48)62(54)52-32-40(24-28-56-52)38-13-5-2-6-14-38;;/h1-32H;;/q-4;2*+2
• InChIKey: CFVSJYOGYHCINO-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 89.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1215.06
LogP ≤ 5	12.00
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 5,10-bis(4-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-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-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-2-id-1-yl)oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (CID 154592462) is 5,10-bis(4-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-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-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-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-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-2-id-1-yl)oxy]-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)ccc5)[c-]c4n2-c2cc(-c4ccccc4)ccn2)n3-c2cc(-c3ccccc3)ccn2)cccc1-n1cccn1.

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

The InChIKey is CFVSJYOGYHCINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N8O2.2Pt/c1-3-11-37(12-4-1)39-23-27-55-51(31-39)61-49-35-45(63-43-17-7-15-41(33-43)59-29-9-25-57-59)19-21-47(49)54-53(61)48-22-20-46(64-44-18-8-16-42(34-44)60-30-10-26-58-60)36-50(48)62(54)52-32-40(24-28-56-52)38-13-5-2-6-14-38;;/h1-32H;;/q-4;2*+2.

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

5,10-bis(4-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-2-id-1-yl)oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) has a molecular weight of 1215.06 g/mol, XLogP of 12.00, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-bis(4-phenyl-2-pyridinyl)-2,7-bis[(3-pyrazol-1-ylbenzene-2-id-1-yl)oxy]-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) is sourced from PubChem (CID 154592462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).