[13-[3-[[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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

C58H48N4OPt-2 — CID 171724319

About [13-[3-[[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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 171724319) has the molecular formula C58H48N4OPt-2 and a molecular weight of 1012.13 g/mol. Its IUPAC name is [13-[3-[[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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: 171724319
• Molecular Formula: C58H48N4OPt-2
• Molecular Weight: 1012.13 g/mol
• Exact Mass: 1011.35
• IUPAC Name: [13-[3-[[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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: Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3cc(-c4ccccc4)ccc32)nc(C)c1-c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C58H48N4O.Pt/c1-38-32-56(59-39(2)57(38)44-21-25-46(26-22-44)58(3,4)5)62-53-31-24-45(42-10-7-6-8-11-42)33-52(53)51-30-29-50(35-54(51)62)63-49-13-9-12-48(34-49)60-36-55-43-20-18-40-14-16-41(17-15-40)19-27-47(28-23-43)61(55)37-60;/h6-17,21-26,28-33,36H,18-20,27H2,1-5H3;/q-2
• InChIKey: JWIOBHNFOYISIK-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 36.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1012.13
LogP ≤ 5	13.83
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-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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 171724319) is [13-[3-[[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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 Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3cc(-c4ccccc4)ccc32)nc(C)c1-c1ccc(C(C)(C)C)cc1.

What is the InChIKey of [13-[3-[[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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 JWIOBHNFOYISIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N4O.Pt/c1-38-32-56(59-39(2)57(38)44-21-25-46(26-22-44)58(3,4)5)62-53-31-24-45(42-10-7-6-8-11-42)33-52(53)51-30-29-50(35-54(51)62)63-49-13-9-12-48(34-49)60-36-55-43-20-18-40-14-16-41(17-15-40)19-27-47(28-23-43)61(55)37-60;/h6-17,21-26,28-33,36H,18-20,27H2,1-5H3;/q-2;.

What are the key properties of [13-[3-[[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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 1012.13 g/mol, XLogP of 13.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-[[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-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 171724319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).