4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile

C149H166N18O8 — CID 158184554

About 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile

4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile (PubChem CID 158184554) has the molecular formula C149H166N18O8 and a molecular weight of 2337.08 g/mol. Its IUPAC name is 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile.

Molecular Properties

• Compound Name: 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile
• PubChem CID: 158184554
• Molecular Formula: C149H166N18O8
• Molecular Weight: 2337.08 g/mol
• Exact Mass: 2335.31
• IUPAC Name: 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile
• SMILES: C#Cc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C#N)c3C2(C)c2ccccc2)C1.CCC1(c2ccccc2)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1[nH]nc2c1C(C)(c1cccc(C(N)=O)c1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1cccnc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1cccnc1)C1=C(C2)CC(C)(C)CC1=O.Cc1ccccc1C1(C)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O
• InChI: InChI=1S/C22H25N3O2.C22H26N2O.C22H22N2O.C22H26N2O.C21H21N3O.2C20H23N3O/c1-12-18-16(25-24-12)9-14-10-21(2,3)11-17(26)19(14)22(18,4)15-7-5-6-13(8-15)20(23)27;1-13-8-6-7-9-16(13)22(5)19-14(2)23-24-17(19)10-15-11-21(3,4)12-18(25)20(15)22;1-5-16-20-17(24-23-16)11-14-12-21(2,3)13-18(25)19(14)22(20,4)15-9-7-6-8-10-15;1-5-22(16-9-7-6-8-10-16)19-14(2)23-24-17(19)11-15-12-21(3,4)13-18(25)20(15)22;1-20(2)10-13-9-15-19(16(12-22)24-23-15)21(3,18(13)17(25)11-20)14-7-5-4-6-8-14;2*1-12-17-15(23-22-12)8-13-9-19(2,3)10-16(24)18(13)20(17,4)14-6-5-7-21-11-14/h5-8H,9-11H2,1-4H3,(H2,23,27)(H,24,25);6-9H,10-12H2,1-5H3,(H,23,24);1,6-10H,11-13H2,2-4H3,(H,23,24);6-10H,5,11-13H2,1-4H3,(H,23,24);4-8H,9-11H2,1-3H3,(H,23,24);2*5-7,11H,8-10H2,1-4H3,(H,22,23)
• InChIKey: FYZJHQILXWUWAU-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 412.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2337.08
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile?

The IUPAC name of 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile (CID 158184554) is 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile.

What is the SMILES notation for 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile?

The canonical SMILES for 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile is C#Cc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C#N)c3C2(C)c2ccccc2)C1.CCC1(c2ccccc2)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1[nH]nc2c1C(C)(c1cccc(C(N)=O)c1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1cccnc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1cccnc1)C1=C(C2)CC(C)(C)CC1=O.Cc1ccccc1C1(C)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.

What is the InChIKey of 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile?

The InChIKey is FYZJHQILXWUWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.C22H26N2O.C22H22N2O.C22H26N2O.C21H21N3O.2C20H23N3O/c1-12-18-16(25-24-12)9-14-10-21(2,3)11-17(26)19(14)22(18,4)15-7-5-6-13(8-15)20(23)27;1-13-8-6-7-9-16(13)22(5)19-14(2)23-24-17(19)10-15-11-21(3,4)12-18(25)20(15)22;1-5-16-20-17(24-23-16)11-14-12-21(2,3)13-18(25)19(14)22(20,4)15-9-7-6-8-10-15;1-5-22(16-9-7-6-8-10-16)19-14(2)23-24-17(19)11-15-12-21(3,4)13-18(25)20(15)22;1-20(2)10-13-9-15-19(16(12-22)24-23-15)21(3,18(13)17(25)11-20)14-7-5-4-6-8-14;2*1-12-17-15(23-22-12)8-13-9-19(2,3)10-16(24)18(13)20(17,4)14-6-5-7-21-11-14/h5-8H,9-11H2,1-4H3,(H2,23,27)(H,24,25);6-9H,10-12H2,1-5H3,(H,23,24);1,6-10H,11-13H2,2-4H3,(H,23,24);6-10H,5,11-13H2,1-4H3,(H,23,24);4-8H,9-11H2,1-3H3,(H,23,24);2*5-7,11H,8-10H2,1-4H3,(H,22,23).

What are the key properties of 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile?

4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile has a molecular weight of 2337.08 g/mol, XLogP of 27.68, 9 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-ethynyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(3,4,7,7-tetramethyl-5-oxo-2,6,8,9-tetrahydrobenzo[f]indazol-4-yl)benzamide;bis(3,4,7,7-tetramethyl-4-pyridin-3-yl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);4,7,7-trimethyl-5-oxo-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazole-3-carbonitrile is sourced from PubChem (CID 158184554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).