9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C47H46N4OPt — CID 153416546

About 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416546) has the molecular formula C47H46N4OPt and a molecular weight of 877.99 g/mol. Its IUPAC name is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416546
• Molecular Formula: C47H46N4OPt
• Molecular Weight: 877.99 g/mol
• Exact Mass: 877.33
• IUPAC Name: 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(C6C(C)=C[C@H](C)C[C@@H]6C)c5-c5ccccc5)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C47H46N4O.Pt/c1-8-34-20-21-48-44(24-34)50-42-17-13-12-16-40(42)41-19-18-38(28-43(41)50)52-39-26-36(29(2)3)25-37(27-39)51-47(35-14-10-9-11-15-35)46(33(7)49-51)45-31(5)22-30(4)23-32(45)6;/h9-22,24-26,29-30,32,45H,8,23H2,1-7H3;/q-2;+2/t30-,32-,45?;/m0./s1
• InChIKey: SLDQIQAURKUSOK-XPNXWZTOSA-N
• XLogP: 12.12
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.99
LogP ≤ 5	12.12
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 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153416546) is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(C6C(C)=C[C@H](C)C[C@@H]6C)c5-c5ccccc5)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is SLDQIQAURKUSOK-XPNXWZTOSA-N. The full InChI is InChI=1S/C47H46N4O.Pt/c1-8-34-20-21-48-44(24-34)50-42-17-13-12-16-40(42)41-19-18-38(28-43(41)50)52-39-26-36(29(2)3)25-37(27-39)51-47(35-14-10-9-11-15-35)46(33(7)49-51)45-31(5)22-30(4)23-32(45)6;/h9-22,24-26,29-30,32,45H,8,23H2,1-7H3;/q-2;+2/t30-,32-,45?;/m0./s1.

What are the key properties of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 877.99 g/mol, XLogP of 12.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).