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

C43H34N4OPt-2 — CID 171724290

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

[13-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (PubChem CID 171724290) has the molecular formula C43H34N4OPt-2 and a molecular weight of 817.85 g/mol. Its IUPAC name is [13-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
• PubChem CID: 171724290
• Molecular Formula: C43H34N4OPt-2
• Molecular Weight: 817.85 g/mol
• Exact Mass: 817.24
• IUPAC Name: [13-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
• SMILES: CC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3ccccc32)c1
• InChI: InChI=1S/C43H34N4O.Pt/c1-29(2)33-22-23-44-43(24-33)47-40-9-4-3-8-38(40)39-21-20-37(26-41(39)47)48-36-7-5-6-35(25-36)45-27-42-32-16-14-30-10-12-31(13-11-30)15-18-34(19-17-32)46(42)28-45;/h3-13,17,19-24,27,29H,14-16,18H2,1-2H3;/q-2
• InChIKey: LDRUZOAUXURXNK-UHFFFAOYSA-N
• XLogP: 9.70
• TPSA: 36.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.85
LogP ≤ 5	9.70
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 [13-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (CID 171724290) is [13-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum is CC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3ccccc32)c1.

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

The InChIKey is LDRUZOAUXURXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N4O.Pt/c1-29(2)33-22-23-44-43(24-33)47-40-9-4-3-8-38(40)39-21-20-37(26-41(39)47)48-36-7-5-6-35(25-36)45-27-42-32-16-14-30-10-12-31(13-11-30)15-18-34(19-17-32)46(42)28-45;/h3-13,17,19-24,27,29H,14-16,18H2,1-2H3;/q-2;.

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

[13-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[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 817.85 g/mol, XLogP of 9.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[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 171724290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).