2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C53H47N3O2Pt — CID 162503683

About 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 162503683) has the molecular formula C53H47N3O2Pt and a molecular weight of 953.06 g/mol. Its IUPAC name is 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 162503683
• Molecular Formula: C53H47N3O2Pt
• Molecular Weight: 953.06 g/mol
• Exact Mass: 952.33
• IUPAC Name: 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cnc(-n2c3[c-]c(Oc4[c-]c(-c5cc6c(cn5)C(C)(C)C(C5CCCCC5)C6(C)C)c5oc6c7ccccc7ccc6c5c4)ccc3c3ccccc32)cc1C.[Pt+2]
• InChI: InChI=1S/C53H47N3O2.Pt/c1-31-24-48(55-29-32(31)2)56-46-19-13-12-18-38(46)39-23-21-35(27-47(39)56)57-36-25-41-40-22-20-33-14-10-11-17-37(33)49(40)58-50(41)42(26-36)45-28-43-44(30-54-45)53(5,6)51(52(43,3)4)34-15-8-7-9-16-34;/h10-14,17-25,28-30,34,51H,7-9,15-16H2,1-6H3;/q-2;+2
• InChIKey: ITBGPIRAZLFUJV-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 53.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.06
LogP ≤ 5	14.07
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 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 162503683) is 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cnc(-n2c3[c-]c(Oc4[c-]c(-c5cc6c(cn5)C(C)(C)C(C5CCCCC5)C6(C)C)c5oc6c7ccccc7ccc6c5c4)ccc3c3ccccc32)cc1C.[Pt+2].

What is the InChIKey of 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ITBGPIRAZLFUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H47N3O2.Pt/c1-31-24-48(55-29-32(31)2)56-46-19-13-12-18-38(46)39-23-21-35(27-47(39)56)57-36-25-41-40-22-20-33-14-10-11-17-37(33)49(40)58-50(41)42(26-36)45-28-43-44(30-54-45)53(5,6)51(52(43,3)4)34-15-8-7-9-16-34;/h10-14,17-25,28-30,34,51H,7-9,15-16H2,1-6H3;/q-2;+2.

What are the key properties of 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 953.06 g/mol, XLogP of 14.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 162503683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).