2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C55H45N5OPt-2 — CID 176797910

About 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 176797910) has the molecular formula C55H45N5OPt-2 and a molecular weight of 997.14 g/mol. Its IUPAC name is 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 176797910
• Molecular Formula: C55H45N5OPt-2
• Molecular Weight: 997.14 g/mol
• Exact Mass: 996.39
• IUPAC Name: 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ncccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C55H45N5O.Pt/c1-54(2,3)39-28-30-56-51(33-39)60-48-24-14-13-21-46(48)47-27-26-42(35-50(47)60)61-43-32-40(55(4,5)6)31-41(34-43)58-36-59(49-25-16-29-57-53(49)58)52-44(37-17-9-7-10-18-37)22-15-23-45(52)38-19-11-8-12-20-38;/h7-33H,1-6H3;/q-2;/i7D,8D,9D,10D,11D,12D,17D,18D,19D,20D
• InChIKey: GLAVUGZOMKKPSL-UTZUWJBHSA-N
• XLogP: 12.91
• TPSA: 48.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.14
LogP ≤ 5	12.91
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 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 176797910) is 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ncccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is GLAVUGZOMKKPSL-UTZUWJBHSA-N. The full InChI is InChI=1S/C55H45N5O.Pt/c1-54(2,3)39-28-30-56-51(33-39)60-48-24-14-13-21-46(48)47-27-26-42(35-50(47)60)61-43-32-40(55(4,5)6)31-41(34-43)58-36-59(49-25-16-29-57-53(49)58)52-44(37-17-9-7-10-18-37)22-15-23-45(52)38-19-11-8-12-20-38;/h7-33H,1-6H3;/q-2;/i7D,8D,9D,10D,11D,12D,17D,18D,19D,20D;.

What are the key properties of 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 997.14 g/mol, XLogP of 12.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazo[4,5-b]pyridin-1-ium-2-id-3-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176797910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).