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

C47H34N5OPt-3 — CID 176782104

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176782104) has the molecular formula C47H34N5OPt-3 and a molecular weight of 879.90 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176782104
• Molecular Formula: C47H34N5OPt-3
• Molecular Weight: 879.90 g/mol
• Exact Mass: 879.24
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccc7ccc8ccccc8c7c6)c6cnccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C47H34N5O.Pt/c1-47(2,3)33-21-24-49-46(25-33)52-42-14-7-6-13-39(42)40-20-19-37(28-44(40)52)53-36-11-8-10-34(26-36)50-30-51(45-29-48-23-22-43(45)50)35-18-17-32-16-15-31-9-4-5-12-38(31)41(32)27-35;/h4-25,27,29-30H,1-3H3;/q-3
• InChIKey: NQKUMRLXAPNTNR-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.90
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176782104) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-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-(3-phenanthren-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccc7ccc8ccccc8c7c6)c6cnccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is NQKUMRLXAPNTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N5O.Pt/c1-47(2,3)33-21-24-49-46(25-33)52-42-14-7-6-13-39(42)40-20-19-37(28-44(40)52)53-36-11-8-10-34(26-36)50-30-51(45-29-48-23-22-43(45)50)35-18-17-32-16-15-31-9-4-5-12-38(31)41(32)27-35;/h4-25,27,29-30H,1-3H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 879.90 g/mol, XLogP of 11.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-3-yl-2H-imidazo[4,5-c]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176782104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).