2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C56H44F2N4OPt+2 — CID 172531489

About 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 172531489) has the molecular formula C56H44F2N4OPt+2 and a molecular weight of 1022.07 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 172531489
• Molecular Formula: C56H44F2N4OPt+2
• Molecular Weight: 1022.07 g/mol
• Exact Mass: 1021.31
• IUPAC Name: 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c([N+]2=C=[N+](c3c(-c4ccccc4)cccc3-c3cc(F)cc(F)c3)c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C56H44F2N4O.Pt/c1-55(2,3)38-25-26-59-53(31-38)62-49-20-11-10-17-47(49)48-24-23-43(34-52(48)62)63-44-30-39(56(4,5)6)29-42(33-44)60-35-61(51-22-13-12-21-50(51)60)54-45(36-15-8-7-9-16-36)18-14-19-46(54)37-27-40(57)32-41(58)28-37;/h7-32H,1-6H3;/q;+2
• InChIKey: OVGDNSAHLFJKHM-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 33.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.07
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 172531489) is 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c([N+]2=C=[N+](c3c(-c4ccccc4)cccc3-c3cc(F)cc(F)c3)c3ccccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is OVGDNSAHLFJKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44F2N4O.Pt/c1-55(2,3)38-25-26-59-53(31-38)62-49-20-11-10-17-47(49)48-24-23-43(34-52(48)62)63-44-30-39(56(4,5)6)29-42(33-44)60-35-61(51-22-13-12-21-50(51)60)54-45(36-15-8-7-9-16-36)18-14-19-46(54)37-27-40(57)32-41(58)28-37;/h7-32H,1-6H3;/q;+2.

What are the key properties of 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1022.07 g/mol, XLogP of 14.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 172531489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).