9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+)

C50H47N5OPt — CID 171769277

About 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+)

9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+) (PubChem CID 171769277) has the molecular formula C50H47N5OPt and a molecular weight of 929.04 g/mol. Its IUPAC name is 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+).

Molecular Properties

• Compound Name: 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+)
• PubChem CID: 171769277
• Molecular Formula: C50H47N5OPt
• Molecular Weight: 929.04 g/mol
• Exact Mass: 928.34
• IUPAC Name: 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+)
• SMILES: Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1c(C)cnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1C.[Pt+2]
• InChI: InChI=1S/C50H47N5O.Pt/c1-28-18-30(3)47-42(20-28)43-21-29(2)19-31(4)48(43)54(47)46-32(5)27-51-49(35(46)8)53-44-15-13-12-14-40(44)41-17-16-38(26-45(41)53)56-39-24-36(50(9,10)11)23-37(25-39)55-34(7)22-33(6)52-55;/h12-24,27H,1-11H3;/q-2;+2
• InChIKey: MVIOMFKBIUECOB-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.04
LogP ≤ 5	12.62
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 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+)?

The IUPAC name of 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+) (CID 171769277) is 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+).

What is the SMILES notation for 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+)?

The canonical SMILES for 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+) is Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1c(C)cnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1C.[Pt+2].

What is the InChIKey of 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+)?

The InChIKey is MVIOMFKBIUECOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H47N5O.Pt/c1-28-18-30(3)47-42(20-28)43-21-29(2)19-31(4)48(43)54(47)46-32(5)27-51-49(35(46)8)53-44-15-13-12-14-40(44)41-17-16-38(26-45(41)53)56-39-24-36(50(9,10)11)23-37(25-39)55-34(7)22-33(6)52-55;/h12-24,27H,1-11H3;/q-2;+2.

What are the key properties of 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+)?

9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+) has a molecular weight of 929.04 g/mol, XLogP of 12.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+) is sourced from PubChem (CID 171769277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).