5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+)

C45H27N3OPt — CID 164838236

About 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+)

5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+) (PubChem CID 164838236) has the molecular formula C45H27N3OPt and a molecular weight of 820.81 g/mol. Its IUPAC name is 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+).

Molecular Properties

• Compound Name: 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+)
• PubChem CID: 164838236
• Molecular Formula: C45H27N3OPt
• Molecular Weight: 820.81 g/mol
• Exact Mass: 820.18
• IUPAC Name: 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+)
• SMILES: Cc1ccc(-n2c3[c-]c(Oc4[c-]c(-c5cc6c(cn5)-c5cccc7cccc(c57)-c5ccccc5-6)ccc4)ccc3c3ccccc32)nc1.[Pt+2]
• InChI: InChI=1S/C45H27N3O.Pt/c1-28-19-22-44(47-26-28)48-42-18-5-4-15-35(42)36-21-20-32(24-43(36)48)49-31-12-6-11-30(23-31)41-25-39-34-14-3-2-13-33(34)37-16-7-9-29-10-8-17-38(45(29)37)40(39)27-46-41;/h2-22,25-27H,1H3;/q-2;+2
• InChIKey: BKPKYGCHUQUKQF-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.81
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+)?

The IUPAC name of 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+) (CID 164838236) is 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+).

What is the SMILES notation for 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+)?

The canonical SMILES for 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+) is Cc1ccc(-n2c3[c-]c(Oc4[c-]c(-c5cc6c(cn5)-c5cccc7cccc(c57)-c5ccccc5-6)ccc4)ccc3c3ccccc32)nc1.[Pt+2].

What is the InChIKey of 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+)?

The InChIKey is BKPKYGCHUQUKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O.Pt/c1-28-19-22-44(47-26-28)48-42-18-5-4-15-35(42)36-21-20-32(24-43(36)48)49-31-12-6-11-30(23-31)41-25-39-34-14-3-2-13-33(34)37-16-7-9-29-10-8-17-38(45(29)37)40(39)27-46-41;/h2-22,25-27H,1H3;/q-2;+2.

What are the key properties of 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+)?

5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+) has a molecular weight of 820.81 g/mol, XLogP of 11.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+) is sourced from PubChem (CID 164838236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).