3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+)

C46H28N4OPt — CID 155790261

About 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+)

3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+) (PubChem CID 155790261) has the molecular formula C46H28N4OPt and a molecular weight of 847.84 g/mol. Its IUPAC name is 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+)
• PubChem CID: 155790261
• Molecular Formula: C46H28N4OPt
• Molecular Weight: 847.84 g/mol
• Exact Mass: 847.19
• IUPAC Name: 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+)
• SMILES: [Pt+2].[c-]1c(Oc2ccccn2)cccc1-n1c2[c-]c3c(cc2c2ccc(-c4ccccc4)cc21)c1ccccc1n3-c1cc(-c2ccccc2)ccn1
• InChI: InChI=1S/C46H28N4O.Pt/c1-3-12-31(13-4-1)33-21-22-38-40-29-39-37-18-7-8-19-41(37)50(45-27-34(23-25-47-45)32-14-5-2-6-15-32)44(39)30-43(40)49(42(38)26-33)35-16-11-17-36(28-35)51-46-20-9-10-24-48-46;/h1-27,29H;/q-2;+2
• InChIKey: VNUZCJKCNSJSEL-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.84
LogP ≤ 5	11.39
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 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+)?

The IUPAC name of 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+) (CID 155790261) is 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+).

What is the SMILES notation for 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+)?

The canonical SMILES for 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2ccccn2)cccc1-n1c2[c-]c3c(cc2c2ccc(-c4ccccc4)cc21)c1ccccc1n3-c1cc(-c2ccccc2)ccn1.

What is the InChIKey of 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+)?

The InChIKey is VNUZCJKCNSJSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O.Pt/c1-3-12-31(13-4-1)33-21-22-38-40-29-39-37-18-7-8-19-41(37)50(45-27-34(23-25-47-45)32-14-5-2-6-15-32)44(39)30-43(40)49(42(38)26-33)35-16-11-17-36(28-35)51-46-20-9-10-24-48-46;/h1-27,29H;/q-2;+2.

What are the key properties of 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+)?

3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+) has a molecular weight of 847.84 g/mol, XLogP of 11.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+) is sourced from PubChem (CID 155790261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).