[13-[3-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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

C60H45N5OPt-2 — CID 171724265

About [13-[3-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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 171724265) has the molecular formula C60H45N5OPt-2 and a molecular weight of 1047.13 g/mol. Its IUPAC name is [13-[3-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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: 171724265
• Molecular Formula: C60H45N5OPt-2
• Molecular Weight: 1047.13 g/mol
• Exact Mass: 1046.33
• IUPAC Name: [13-[3-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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: CC(C)(c1ccccc1)c1cc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7cnc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3cc(-c4ccccc4)ccc32)ncc1-c1ccccc1
• InChI: InChI=1S/C60H45N5O.Pt/c1-60(2,47-17-10-5-11-18-47)54-36-59(62-38-53(54)44-15-8-4-9-16-44)65-55-31-28-45(43-13-6-3-7-14-43)33-52(55)51-30-29-50(35-56(51)65)66-49-20-12-19-48(34-49)63-39-57-46-27-25-41-21-23-42(24-22-41)26-32-58(61-37-46)64(57)40-63;/h3-24,28-31,33,36-39H,25-27,32H2,1-2H3;/q-2
• InChIKey: YCBWIGLMFGULQJ-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 49.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.13
LogP ≤ 5	13.63
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 [13-[3-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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 171724265) is [13-[3-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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 CC(C)(c1ccccc1)c1cc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7cnc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3cc(-c4ccccc4)ccc32)ncc1-c1ccccc1.

What is the InChIKey of [13-[3-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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 YCBWIGLMFGULQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N5O.Pt/c1-60(2,47-17-10-5-11-18-47)54-36-59(62-38-53(54)44-15-8-4-9-16-44)65-55-31-28-45(43-13-6-3-7-14-43)33-52(55)51-30-29-50(35-56(51)65)66-49-20-12-19-48(34-49)63-39-57-46-27-25-41-21-23-42(24-22-41)26-32-58(61-37-46)64(57)40-63;/h3-24,28-31,33,36-39H,25-27,32H2,1-2H3;/q-2;.

What are the key properties of [13-[3-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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 1047.13 g/mol, XLogP of 13.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-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 171724265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).