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

C44H41N6OPt-3 — CID 176781975

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176781975) has the molecular formula C44H41N6OPt-3 and a molecular weight of 864.93 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176781975
• Molecular Formula: C44H41N6OPt-3
• Molecular Weight: 864.93 g/mol
• Exact Mass: 864.30
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cnc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ncccc32)c(C(C)C)c1.[Pt]
• InChI: InChI=1S/C44H41N6O.Pt/c1-28(2)30-22-37(29(3)4)42(47-26-30)49-27-48(43-39(49)16-11-20-46-43)32-12-10-13-33(24-32)51-34-17-18-36-35-14-8-9-15-38(35)50(40(36)25-34)41-23-31(19-21-45-41)44(5,6)7;/h8-23,26-29H,1-7H3;/q-3
• InChIKey: QKKXSYIPNLWRMP-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.93
LogP ≤ 5	11.31
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176781975) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)c1cnc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ncccc32)c(C(C)C)c1.[Pt].

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

The InChIKey is QKKXSYIPNLWRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H41N6O.Pt/c1-28(2)30-22-37(29(3)4)42(47-26-30)49-27-48(43-39(49)16-11-20-46-43)32-12-10-13-33(24-32)51-34-17-18-36-35-14-8-9-15-38(35)50(40(36)25-34)41-23-31(19-21-45-41)44(5,6)7;/h8-23,26-29H,1-7H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 864.93 g/mol, XLogP of 11.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176781975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).