9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum

C49H47N5OPt-2 — CID 171765291

About 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 171765291) has the molecular formula C49H47N5OPt-2 and a molecular weight of 917.03 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 171765291
• Molecular Formula: C49H47N5OPt-2
• Molecular Weight: 917.03 g/mol
• Exact Mass: 916.34
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(c(-c6ccccc6)c4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccn3)cc2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C49H47N5O.Pt/c1-47(2,3)34-19-21-51-45(28-34)54-42-18-14-13-17-40(42)46-41(33-15-11-10-12-16-33)29-39(30-43(46)54)55-38-20-22-50-44(31-38)53-24-23-52(32-53)37-26-35(48(4,5)6)25-36(27-37)49(7,8)9;/h10-29H,1-9H3;/q-2
• InChIKey: HBKYXWSRRRQURO-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 48.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.03
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum (CID 171765291) is 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(c(-c6ccccc6)c4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccn3)cc2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum?

The InChIKey is HBKYXWSRRRQURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47N5O.Pt/c1-47(2,3)34-19-21-51-45(28-34)54-42-18-14-13-17-40(42)46-41(33-15-11-10-12-16-33)29-39(30-43(46)54)55-38-20-22-50-44(31-38)53-24-23-52(32-53)37-26-35(48(4,5)6)25-36(27-37)49(7,8)9;/h10-29H,1-9H3;/q-2;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 917.03 g/mol, XLogP of 11.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-4-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171765291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).