9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole

C47H48N4O — CID 158016285

About 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole

9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole (PubChem CID 158016285) has the molecular formula C47H48N4O and a molecular weight of 684.93 g/mol. Its IUPAC name is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole
• PubChem CID: 158016285
• Molecular Formula: C47H48N4O
• Molecular Weight: 684.93 g/mol
• Exact Mass: 684.38
• IUPAC Name: 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole
• SMILES: CCc1ccnc(-n2c3ccccc3c3ccc(Oc4cc(C(C)C)cc(-n5nc(C)c([C@H]6C(C)=C[C@H](C)CC6C)c5-c5ccccc5)c4)cc32)c1
• InChI: InChI=1S/C47H48N4O/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/h9-22,24-30,32,45H,8,23H2,1-7H3/t30-,32?,45-/m0/s1
• InChIKey: UXQOLQZBWLYUEH-AZYQZERJSA-N
• XLogP: 12.52
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.93
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole?

The IUPAC name of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole (CID 158016285) is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole.

What is the SMILES notation for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole?

The canonical SMILES for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole is CCc1ccnc(-n2c3ccccc3c3ccc(Oc4cc(C(C)C)cc(-n5nc(C)c([C@H]6C(C)=C[C@H](C)CC6C)c5-c5ccccc5)c4)cc32)c1.

What is the InChIKey of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole?

The InChIKey is UXQOLQZBWLYUEH-AZYQZERJSA-N. The full InChI is InChI=1S/C47H48N4O/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/h9-22,24-30,32,45H,8,23H2,1-7H3/t30-,32?,45-/m0/s1.

What are the key properties of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole?

9-(4-ethyl-2-pyridinyl)-2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole has a molecular weight of 684.93 g/mol, XLogP of 12.52, 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-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole is sourced from PubChem (CID 158016285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).