2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C47H46N4OPt — CID 153416162

About 2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416162) has the molecular formula C47H46N4OPt and a molecular weight of 877.99 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416162
• Molecular Formula: C47H46N4OPt
• Molecular Weight: 877.99 g/mol
• Exact Mass: 877.33
• IUPAC Name: 2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC1=C[C@H](c2ccccc2)C[C@H](C)C1c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C(C)(C)C)c2)c1C.[Pt+2]
• InChI: InChI=1S/C47H46N4O.Pt/c1-29-20-21-48-44(22-29)50-42-17-13-12-16-40(42)41-19-18-38(28-43(41)50)52-39-26-36(47(6,7)8)25-37(27-39)51-33(5)46(32(4)49-51)45-30(2)23-35(24-31(45)3)34-14-10-9-11-15-34;/h9-23,25-26,31,35,45H,24H2,1-8H3;/q-2;+2/t31-,35-,45?;/m0./s1
• InChIKey: ZGLXOVYBOVEWMU-XOMNOHEASA-N
• XLogP: 11.83
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.99
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416162) is 2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CC1=C[C@H](c2ccccc2)C[C@H](C)C1c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C(C)(C)C)c2)c1C.[Pt+2].

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

The InChIKey is ZGLXOVYBOVEWMU-XOMNOHEASA-N. The full InChI is InChI=1S/C47H46N4O.Pt/c1-29-20-21-48-44(22-29)50-42-17-13-12-16-40(42)41-19-18-38(28-43(41)50)52-39-26-36(47(6,7)8)25-37(27-39)51-33(5)46(32(4)49-51)45-30(2)23-35(24-31(45)3)34-14-10-9-11-15-34;/h9-23,25-26,31,35,45H,24H2,1-8H3;/q-2;+2/t31-,35-,45?;/m0./s1.

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

2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 877.99 g/mol, XLogP of 11.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[4-[(4R,6S)-2,6-dimethyl-4-phenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).