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

C34H27N4OPt-3 — CID 153428436

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3H-imidazo[1,5-a]pyridin-3-id-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 153428436) has the molecular formula C34H27N4OPt-3 and a molecular weight of 702.70 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3H-imidazo[1,5-a]pyridin-3-id-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3H-imidazo[1,5-a]pyridin-3-id-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 153428436
• Molecular Formula: C34H27N4OPt-3
• Molecular Weight: 702.70 g/mol
• Exact Mass: 702.18
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3H-imidazo[1,5-a]pyridin-3-id-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=C6C=CC=CN6[CH-]5)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C34H27N4O.Pt/c1-34(2,3)24-16-17-35-33(19-24)38-31-13-5-4-12-29(31)30-15-14-28(21-32(30)38)39-27-11-8-10-25(20-27)37-22-26-9-6-7-18-36(26)23-37;/h4-19,22-23H,1-3H3;/q-3
• InChIKey: FWGIFBJNDQVGOE-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.70
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-(3H-imidazo[1,5-a]pyridin-3-id-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3H-imidazo[1,5-a]pyridin-3-id-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 153428436) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3H-imidazo[1,5-a]pyridin-3-id-2-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-(3H-imidazo[1,5-a]pyridin-3-id-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3H-imidazo[1,5-a]pyridin-3-id-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=C6C=CC=CN6[CH-]5)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is FWGIFBJNDQVGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N4O.Pt/c1-34(2,3)24-16-17-35-33(19-24)38-31-13-5-4-12-29(31)30-15-14-28(21-32(30)38)39-27-11-8-10-25(20-27)37-22-26-9-6-7-18-36(26)23-37;/h4-19,22-23H,1-3H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3H-imidazo[1,5-a]pyridin-3-id-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 702.70 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3H-imidazo[1,5-a]pyridin-3-id-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153428436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).