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

C43H32N5OPt-3 — CID 176782450

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-naphthalen-1-yl-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-naphthalen-1-yl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176782450) has the molecular formula C43H32N5OPt-3 and a molecular weight of 829.84 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-naphthalen-1-yl-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-naphthalen-1-yl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176782450
• Molecular Formula: C43H32N5OPt-3
• Molecular Weight: 829.84 g/mol
• Exact Mass: 829.23
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-naphthalen-1-yl-2H-imidazo[4,5-b]pyridin-2-id-3-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(c6cccc7ccccc67)c6cccnc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C43H32N5O.Pt/c1-43(2,3)30-22-24-44-41(25-30)48-38-17-7-6-16-35(38)36-21-20-33(27-40(36)48)49-32-14-9-13-31(26-32)46-28-47(39-19-10-23-45-42(39)46)37-18-8-12-29-11-4-5-15-34(29)37;/h4-25,28H,1-3H3;/q-3
• InChIKey: FHIWOFGLZJITOJ-UHFFFAOYSA-N
• XLogP: 10.82
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.84
LogP ≤ 5	10.82
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-naphthalen-1-yl-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-naphthalen-1-yl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176782450) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-naphthalen-1-yl-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-naphthalen-1-yl-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-naphthalen-1-yl-2H-imidazo[4,5-b]pyridin-2-id-3-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(c6cccc7ccccc67)c6cccnc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is FHIWOFGLZJITOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N5O.Pt/c1-43(2,3)30-22-24-44-41(25-30)48-38-17-7-6-16-35(38)36-21-20-33(27-40(36)48)49-32-14-9-13-31(26-32)46-28-47(39-19-10-23-45-42(39)46)37-18-8-12-29-11-4-5-15-34(29)37;/h4-25,28H,1-3H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-naphthalen-1-yl-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-naphthalen-1-yl-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 829.84 g/mol, XLogP of 10.82, 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-(1-naphthalen-1-yl-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 176782450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).