[13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum

C53H39N5OPt-2 — CID 171724175

About [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum

[13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (PubChem CID 171724175) has the molecular formula C53H39N5OPt-2 and a molecular weight of 957.01 g/mol. Its IUPAC name is [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum.

Molecular Properties

• Compound Name: [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
• PubChem CID: 171724175
• Molecular Formula: C53H39N5OPt-2
• Molecular Weight: 957.01 g/mol
• Exact Mass: 956.28
• IUPAC Name: [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7cnc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3cc(-c4ccccc4)ccc32)nc(C)c1-c1ccccc1
• InChI: InChI=1S/C53H39N5O.Pt/c1-35-28-52(55-36(2)53(35)40-12-7-4-8-13-40)58-48-26-23-41(39-10-5-3-6-11-39)29-47(48)46-25-24-45(31-49(46)58)59-44-15-9-14-43(30-44)56-33-50-42-22-20-37-16-18-38(19-17-37)21-27-51(54-32-42)57(50)34-56;/h3-19,23-26,28-29,32-33H,20-22,27H2,1-2H3;/q-2
• InChIKey: HMDXMBXGXROGID-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 49.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.01
LogP ≤ 5	11.92
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 [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?

The IUPAC name of [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (CID 171724175) is [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum.

What is the SMILES notation for [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?

The canonical SMILES for [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7cnc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3cc(-c4ccccc4)ccc32)nc(C)c1-c1ccccc1.

What is the InChIKey of [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?

The InChIKey is HMDXMBXGXROGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N5O.Pt/c1-35-28-52(55-36(2)53(35)40-12-7-4-8-13-40)58-48-26-23-41(39-10-5-3-6-11-39)29-47(48)46-25-24-45(31-49(46)58)59-44-15-9-14-43(30-44)56-33-50-42-22-20-37-16-18-38(19-17-37)21-27-51(54-32-42)57(50)34-56;/h3-19,23-26,28-29,32-33H,20-22,27H2,1-2H3;/q-2;.

What are the key properties of [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?

[13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum has a molecular weight of 957.01 g/mol, XLogP of 11.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum is sourced from PubChem (CID 171724175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).