3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione

C156H191F2N13O9 — CID 159146593

IUPAC3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione
SMILESCC(C)(C)Cc1n[nH]c2c1[C@@]1(CCOc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1[C@@]1(CCc3cc(F)ccc31)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1[C@]1(CCOc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1[C@]1(CCc3cc(F)ccc31)C1=C(C2)CC(C)(C)CC1=O.CCC(C)(C)Cc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CN1C(=O)C2(C3=C(Cc4[nH]nc(CC(C)(C)C)c42)CC(C)(C)CC3=O)c2ccccc21
InChIInChI=1S/2C26H31FN2O.C26H31N3O2.2C26H32N2O2.C26H34N2O/c2*1-24(2,3)13-20-23-19(28-29-20)11-16-12-25(4,5)14-21(30)22(16)26(23)9-8-15-10-17(27)6-7-18(15)26;1-24(2,3)13-18-22-17(27-28-18)11-15-12-25(4,5)14-20(30)21(15)26(22)16-9-7-8-10-19(16)29(6)23(26)31;2*1-24(2,3)14-19-23-18(27-28-19)12-16-13-25(4,5)15-20(29)22(16)26(23)10-11-30-21-9-7-6-8-17(21)26;1-7-24(2,3)15-20-23-19(27-28-20)13-17-14-25(4,5)16-21(29)22(17)26(23,6)18-11-9-8-10-12-18/h2*6-7,10H,8-9,11-14H2,1-5H3,(H,28,29);7-10H,11-14H2,1-6H3,(H,27,28);2*6-9H,10-15H2,1-5H3,(H,27,28);8-12H,7,13-16H2,1-6H3,(H,27,28)/t2*26-;;2*26-;/m10.10./s1
InChIKeyKITHQSRHWHFNOQ-BJTGUTPHSA-N
MW2430.32 g/mol
LogP32.28
Rot. Bonds9

About 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione

3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione (PubChem CID 159146593) has the molecular formula C156H191F2N13O9 and a molecular weight of 2430.32 g/mol. Its IUPAC name is 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione.

Molecular Properties

Compound Name3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione
PubChem CID159146593
Molecular FormulaC156H191F2N13O9
Molecular Weight2430.32 g/mol
Exact Mass2428.49
IUPAC Name3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione
SMILESCC(C)(C)Cc1n[nH]c2c1[C@@]1(CCOc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1[C@@]1(CCc3cc(F)ccc31)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1[C@]1(CCOc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1[C@]1(CCc3cc(F)ccc31)C1=C(C2)CC(C)(C)CC1=O.CCC(C)(C)Cc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CN1C(=O)C2(C3=C(Cc4[nH]nc(CC(C)(C)C)c42)CC(C)(C)CC3=O)c2ccccc21
InChIInChI=1S/2C26H31FN2O.C26H31N3O2.2C26H32N2O2.C26H34N2O/c2*1-24(2,3)13-20-23-19(28-29-20)11-16-12-25(4,5)14-21(30)22(16)26(23)9-8-15-10-17(27)6-7-18(15)26;1-24(2,3)13-18-22-17(27-28-18)11-15-12-25(4,5)14-20(30)21(15)26(22)16-9-7-8-10-19(16)29(6)23(26)31;2*1-24(2,3)14-19-23-18(27-28-19)12-16-13-25(4,5)15-20(29)22(16)26(23)10-11-30-21-9-7-6-8-17(21)26;1-7-24(2,3)15-20-23-19(27-28-20)13-17-14-25(4,5)16-21(29)22(17)26(23,6)18-11-9-8-10-12-18/h2*6-7,10H,8-9,11-14H2,1-5H3,(H,28,29);7-10H,11-14H2,1-6H3,(H,27,28);2*6-9H,10-15H2,1-5H3,(H,27,28);8-12H,7,13-16H2,1-6H3,(H,27,28)/t2*26-;;2*26-;/m10.10./s1
InChIKeyKITHQSRHWHFNOQ-BJTGUTPHSA-N
XLogP32.28
TPSA313.27 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002430.32
LogP ≤ 532.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione?
The IUPAC name of 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione (CID 159146593) is 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione.
What is the SMILES notation for 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione?
The canonical SMILES for 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione is CC(C)(C)Cc1n[nH]c2c1[C@@]1(CCOc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1[C@@]1(CCc3cc(F)ccc31)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1[C@]1(CCOc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1[C@]1(CCc3cc(F)ccc31)C1=C(C2)CC(C)(C)CC1=O.CCC(C)(C)Cc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CN1C(=O)C2(C3=C(Cc4[nH]nc(CC(C)(C)C)c42)CC(C)(C)CC3=O)c2ccccc21.
What is the InChIKey of 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione?
The InChIKey is KITHQSRHWHFNOQ-BJTGUTPHSA-N. The full InChI is InChI=1S/2C26H31FN2O.C26H31N3O2.2C26H32N2O2.C26H34N2O/c2*1-24(2,3)13-20-23-19(28-29-20)11-16-12-25(4,5)14-21(30)22(16)26(23)9-8-15-10-17(27)6-7-18(15)26;1-24(2,3)13-18-22-17(27-28-18)11-15-12-25(4,5)14-20(30)21(15)26(22)16-9-7-8-10-19(16)29(6)23(26)31;2*1-24(2,3)14-19-23-18(27-28-19)12-16-13-25(4,5)15-20(29)22(16)26(23)10-11-30-21-9-7-6-8-17(21)26;1-7-24(2,3)15-20-23-19(27-28-20)13-17-14-25(4,5)16-21(29)22(17)26(23,6)18-11-9-8-10-12-18/h2*6-7,10H,8-9,11-14H2,1-5H3,(H,28,29);7-10H,11-14H2,1-6H3,(H,27,28);2*6-9H,10-15H2,1-5H3,(H,27,28);8-12H,7,13-16H2,1-6H3,(H,27,28)/t2*26-;;2*26-;/m10.10./s1.
What are the key properties of 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione?
3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione has a molecular weight of 2430.32 g/mol, XLogP of 32.28, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(2,2-dimethylpropyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(3R)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(2,2-dimethylpropyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3-(2,2-dimethylpropyl)-1',7,7-trimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-indole]-2',5-dione is sourced from PubChem (CID 159146593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).