2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C45H46N4OPt — CID 153441011

About 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441011) has the molecular formula C45H46N4OPt and a molecular weight of 853.97 g/mol. Its IUPAC name is 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441011
• Molecular Formula: C45H46N4OPt
• Molecular Weight: 853.97 g/mol
• Exact Mass: 853.33
• IUPAC Name: 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C)cc(CCC(C)(C)C)c4)ccc3c3cc(CC(C)C)ccc32)c1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-29(2)22-33-14-17-41-40(26-33)39-16-15-37(28-42(39)48(41)43-23-30(3)19-21-46-43)50-38-25-34(18-20-45(6,7)8)24-36(27-38)49-32(5)44(31(4)47-49)35-12-10-9-11-13-35;/h9-17,19,21,23-26,29H,18,20,22H2,1-8H3;/q-2;+2
• InChIKey: GNLLEIIJJZDSED-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.52
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-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441011) is 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C)cc(CCC(C)(C)C)c4)ccc3c3cc(CC(C)C)ccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is GNLLEIIJJZDSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-29(2)22-33-14-17-41-40(26-33)39-16-15-37(28-42(39)48(41)43-23-30(3)19-21-46-43)50-38-25-34(18-20-45(6,7)8)24-36(27-38)49-32(5)44(31(4)47-49)35-12-10-9-11-13-35;/h9-17,19,21,23-26,29H,18,20,22H2,1-8H3;/q-2;+2.

What are the key properties of 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 11.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).