bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+))

C114H116N12Pt2+4 — CID 171461926

About bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+))

bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+)) (PubChem CID 171461926) has the molecular formula C114H116N12Pt2+4 and a molecular weight of 2044.42 g/mol. Its IUPAC name is bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+)).

Molecular Properties

• Compound Name: bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+))
• PubChem CID: 171461926
• Molecular Formula: C114H116N12Pt2+4
• Molecular Weight: 2044.42 g/mol
• Exact Mass: 2042.87
• IUPAC Name: bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+))
• SMILES: C[N+]1=C=[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5ccc(C(C)(C)C)cc5-c5cc(C(C)(C)C)ccc54)ccc3)c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)c2nccnc21.C[N+]1=C=[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5ccc(C(C)(C)C)cc5-c5cc(C(C)(C)C)ccc54)ccc3)c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)c2nccnc21.[Pt+2].[Pt+2]
• InChI: InChI=1S/2C57H58N6.2Pt/c2*1-52(2,3)35-17-21-45-41(30-35)42-31-36(53(4,5)6)18-22-46(42)56(45,49-25-26-60-61-49)39-15-14-16-40(29-39)57(63-34-62(13)50-51(63)59-28-27-58-50)47-23-19-37(54(7,8)9)32-43(47)44-33-38(55(10,11)12)20-24-48(44)57;;/h2*14-28,30-33H,1-13H3;;/q;;2*+2
• InChIKey: LFBFMDUPPJJIKI-UHFFFAOYSA-N
• XLogP: 24.51
• TPSA: 117.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2044.42
LogP ≤ 5	24.51
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 bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+))?

The IUPAC name of bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+)) (CID 171461926) is bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+)).

What is the SMILES notation for bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+))?

The canonical SMILES for bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+)) is C[N+]1=C=[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5ccc(C(C)(C)C)cc5-c5cc(C(C)(C)C)ccc54)ccc3)c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)c2nccnc21.C[N+]1=C=[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5ccc(C(C)(C)C)cc5-c5cc(C(C)(C)C)ccc54)ccc3)c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)c2nccnc21.[Pt+2].[Pt+2].

What is the InChIKey of bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+))?

The InChIKey is LFBFMDUPPJJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H58N6.2Pt/c2*1-52(2,3)35-17-21-45-41(30-35)42-31-36(53(4,5)6)18-22-46(42)56(45,49-25-26-60-61-49)39-15-14-16-40(29-39)57(63-34-62(13)50-51(63)59-28-27-58-50)47-23-19-37(54(7,8)9)32-43(47)44-33-38(55(10,11)12)20-24-48(44)57;;/h2*14-28,30-33H,1-13H3;;/q;;2*+2.

What are the key properties of bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+))?

bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+)) has a molecular weight of 2044.42 g/mol, XLogP of 24.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[3,6-ditert-butyl-9-[3-(3,6-ditert-butyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]fluoren-9-yl]-1-methylimidazo[4,5-b]pyrazine-1,3-diium);bis(platinum(2+)) is sourced from PubChem (CID 171461926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).