2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C42H27N6Pt-3 — CID 169051711

About 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 169051711) has the molecular formula C42H27N6Pt-3 and a molecular weight of 810.80 g/mol. Its IUPAC name is 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 169051711
• Molecular Formula: C42H27N6Pt-3
• Molecular Weight: 810.80 g/mol
• Exact Mass: 810.20
• IUPAC Name: 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)c4ccccc4-c4ccccc43)ccc2)c2nccnc21.[Pt]
• InChI: InChI=1S/C42H27N6.Pt/c1-46-27-47(41-40(46)44-23-24-45-41)30-12-10-11-28(25-30)42(35-16-5-2-13-31(35)32-14-3-6-17-36(32)42)29-20-21-34-33-15-4-7-18-37(33)48(38(34)26-29)39-19-8-9-22-43-39;/h2-24,27H,1H3;/q-3
• InChIKey: XCDWPDHVGNCVOJ-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.80
LogP ≤ 5	8.64
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-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 169051711) is 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CN1[CH-]N(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)c4ccccc4-c4ccccc43)ccc2)c2nccnc21.[Pt].

What is the InChIKey of 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is XCDWPDHVGNCVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N6.Pt/c1-46-27-47(41-40(46)44-23-24-45-41)30-12-10-11-28(25-30)42(35-16-5-2-13-31(35)32-14-3-6-17-36(32)42)29-20-21-34-33-15-4-7-18-37(33)48(38(34)26-29)39-19-8-9-22-43-39;/h2-24,27H,1H3;/q-3;.

What are the key properties of 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 810.80 g/mol, XLogP of 8.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169051711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).