5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+)

C44H25N5OPt — CID 140729430

About 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+)

5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+) (PubChem CID 140729430) has the molecular formula C44H25N5OPt and a molecular weight of 834.80 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+)
• PubChem CID: 140729430
• Molecular Formula: C44H25N5OPt
• Molecular Weight: 834.80 g/mol
• Exact Mass: 834.17
• IUPAC Name: 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-n2c3[c-]c(-c4ncc(-n5c6ccccc6c6ccccc65)o4)ccc3c3ccccc32)cccc1-n1c2ccccc2c2cccnc21
• InChI: InChI=1S/C44H25N5O.Pt/c1-5-18-37-33(15-1)35-23-22-28(44-46-27-42(50-44)49-39-20-7-2-13-31(39)32-14-3-8-21-40(32)49)25-41(35)47(37)29-11-9-12-30(26-29)48-38-19-6-4-16-34(38)36-17-10-24-45-43(36)48;/h1-24,27H;/q-2;+2
• InChIKey: HUTNPYVHKICQDP-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 53.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.80
LogP ≤ 5	10.63
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 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+)?

The IUPAC name of 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+) (CID 140729430) is 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+).

What is the SMILES notation for 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+)?

The canonical SMILES for 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+) is [Pt+2].[c-]1c(-n2c3[c-]c(-c4ncc(-n5c6ccccc6c6ccccc65)o4)ccc3c3ccccc32)cccc1-n1c2ccccc2c2cccnc21.

What is the InChIKey of 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+)?

The InChIKey is HUTNPYVHKICQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5O.Pt/c1-5-18-37-33(15-1)35-23-22-28(44-46-27-42(50-44)49-39-20-7-2-13-31(39)32-14-3-8-21-40(32)49)25-41(35)47(37)29-11-9-12-30(26-29)48-38-19-6-4-16-34(38)36-17-10-24-45-43(36)48;/h1-24,27H;/q-2;+2.

What are the key properties of 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+)?

5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+) has a molecular weight of 834.80 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 140729430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).