11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum

C61H46N5O2Pt-3 — CID 169294302

About 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum

11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum (PubChem CID 169294302) has the molecular formula C61H46N5O2Pt-3 and a molecular weight of 1076.15 g/mol. Its IUPAC name is 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum.

Molecular Properties

• Compound Name: 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum
• PubChem CID: 169294302
• Molecular Formula: C61H46N5O2Pt-3
• Molecular Weight: 1076.15 g/mol
• Exact Mass: 1075.33
• IUPAC Name: 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc7c8c(c6)C(C)(C)c6ccccc6N8c6ccccc6O7)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c1.[Pt]
• InChI: InChI=1S/C61H46N5O2.Pt/c1-60(2,3)41-30-31-62-58(33-41)65-50-29-26-40(39-16-7-6-8-17-39)32-47(50)46-28-27-45(37-55(46)65)67-44-19-15-18-42(34-44)63-38-64(53-23-12-11-22-52(53)63)43-35-49-59-57(36-43)68-56-25-14-13-24-54(56)66(59)51-21-10-9-20-48(51)61(49,4)5;/h6-33,35-36,38H,1-5H3;/q-3
• InChIKey: UKOFRLBFAZISQT-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 46.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1076.15
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum?

The IUPAC name of 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum (CID 169294302) is 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum.

What is the SMILES notation for 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum?

The canonical SMILES for 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc7c8c(c6)C(C)(C)c6ccccc6N8c6ccccc6O7)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c1.[Pt].

What is the InChIKey of 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum?

The InChIKey is UKOFRLBFAZISQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N5O2.Pt/c1-60(2,3)41-30-31-62-58(33-41)65-50-29-26-40(39-16-7-6-8-17-39)32-47(50)46-28-27-45(37-55(46)65)67-44-19-15-18-42(34-44)63-38-64(53-23-12-11-22-52(53)63)43-35-49-59-57(36-43)68-56-25-14-13-24-54(56)66(59)51-21-10-9-20-48(51)61(49,4)5;/h6-33,35-36,38H,1-5H3;/q-3;.

What are the key properties of 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum?

11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum has a molecular weight of 1076.15 g/mol, XLogP of 16.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum is sourced from PubChem (CID 169294302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).