2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C40H36N5OPt-3 — CID 176783036

About 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 176783036) has the molecular formula C40H36N5OPt-3 and a molecular weight of 797.84 g/mol. Its IUPAC name is 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 176783036
• Molecular Formula: C40H36N5OPt-3
• Molecular Weight: 797.84 g/mol
• Exact Mass: 797.26
• IUPAC Name: 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C6CC7CCC6C7)c6ccncc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C40H36N5O.Pt/c1-40(2,3)28-15-18-42-39(21-28)45-34-10-5-4-9-32(34)33-14-13-31(23-37(33)45)46-30-8-6-7-29(22-30)43-25-44(35-16-17-41-24-38(35)43)36-20-26-11-12-27(36)19-26;/h4-10,13-18,21,24-27,36H,11-12,19-20H2,1-3H3;/q-3
• InChIKey: FKPOZXHKLMLDRC-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.84
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 176783036) is 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-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-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C6CC7CCC6C7)c6ccncc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is FKPOZXHKLMLDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N5O.Pt/c1-40(2,3)28-15-18-42-39(21-28)45-34-10-5-4-9-32(34)33-14-13-31(23-37(33)45)46-30-8-6-7-29(22-30)43-25-44(35-16-17-41-24-38(35)43)36-20-26-11-12-27(36)19-26;/h4-10,13-18,21,24-27,36H,11-12,19-20H2,1-3H3;/q-3;.

What are the key properties of 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 797.84 g/mol, XLogP of 9.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176783036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).