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

C54H43N6OPt-3 — CID 176783954

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

2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-phenyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]-3H-carbazol-3-ide;platinum (PubChem CID 176783954) has the molecular formula C54H43N6OPt-3 and a molecular weight of 987.06 g/mol. Its IUPAC name is 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-phenyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]-3H-carbazol-3-ide;platinum.

Molecular Properties

• Compound Name: 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-phenyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]-3H-carbazol-3-ide;platinum
• PubChem CID: 176783954
• Molecular Formula: C54H43N6OPt-3
• Molecular Weight: 987.06 g/mol
• Exact Mass: 986.32
• IUPAC Name: 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-phenyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]-3H-carbazol-3-ide;platinum
• SMILES: Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc4c3c3ccccc3n4-c3ccccc3)c3cccnc32)c(C)c1.[Pt]
• InChI: InChI=1S/C54H43N6O.Pt/c1-34-27-35(2)52(36(3)28-34)58-33-57(46-21-14-25-56-53(46)58)48-31-40(32-49-51(48)43-18-11-13-20-45(43)59(49)38-15-8-7-9-16-38)61-39-22-23-42-41-17-10-12-19-44(41)60(47(42)30-39)50-29-37(24-26-55-50)54(4,5)6;/h7-29,32-33H,1-6H3;/q-3
• InChIKey: QOIJAGVZRDOGSK-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 51.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.06
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-phenyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]-3H-carbazol-3-ide;platinum (CID 176783954) is 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-phenyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]-3H-carbazol-3-ide;platinum.

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

The canonical SMILES for 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-phenyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]-3H-carbazol-3-ide;platinum is Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc4c3c3ccccc3n4-c3ccccc3)c3cccnc32)c(C)c1.[Pt].

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

The InChIKey is QOIJAGVZRDOGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N6O.Pt/c1-34-27-35(2)52(36(3)28-34)58-33-57(46-21-14-25-56-53(46)58)48-31-40(32-49-51(48)43-18-11-13-20-45(43)59(49)38-15-8-7-9-16-38)61-39-22-23-42-41-17-10-12-19-44(41)60(47(42)30-39)50-29-37(24-26-55-50)54(4,5)6;/h7-29,32-33H,1-6H3;/q-3;.

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

2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-phenyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]-3H-carbazol-3-ide;platinum has a molecular weight of 987.06 g/mol, XLogP of 13.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-phenyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]-3H-carbazol-3-ide;platinum is sourced from PubChem (CID 176783954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).