2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone

C139H139F3N6O7 — CID 123302106

IUPAC2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
SMILESC=Cc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12.CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc12.CC(F)Oc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CCC(C)c1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CCCCc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1
InChIInChI=1S/3C29H31NO.C27H26FNO2.C25H20F2N2O2/c1-20(2)23-10-6-7-11-24(23)26-19-30(27-13-9-8-12-25(26)27)28(31)18-21-14-16-22(17-15-21)29(3,4)5;1-5-21(4)23-16-14-22(15-17-23)18-29(31)30-19-27(26-12-8-9-13-28(26)30)25-11-7-6-10-24(25)20(2)3;1-4-5-10-22-15-17-23(18-16-22)19-29(31)30-20-27(26-13-8-9-14-28(26)30)25-12-7-6-11-24(25)21(2)3;1-18(2)22-8-4-5-9-23(22)25-17-29(26-11-7-6-10-24(25)26)27(30)16-20-12-14-21(15-13-20)31-19(3)28;1-3-17-8-4-5-9-20(17)22-16-29(23-11-7-6-10-21(22)23)24(30)28-18-12-14-19(15-13-18)31-25(2,26)27/h6-17,19-20H,18H2,1-5H3;6-17,19-21H,5,18H2,1-4H3;6-9,11-18,20-21H,4-5,10,19H2,1-3H3;4-15,17-19H,16H2,1-3H3;3-16H,1H2,2H3,(H,28,30)
InChIKeySLPGHNQTEQTOIA-UHFFFAOYSA-N
MW2062.67 g/mol
LogP37.13
Rot. Bonds28

About 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone

2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone (PubChem CID 123302106) has the molecular formula C139H139F3N6O7 and a molecular weight of 2062.67 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
PubChem CID123302106
Molecular FormulaC139H139F3N6O7
Molecular Weight2062.67 g/mol
Exact Mass2061.07
IUPAC Name2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
SMILESC=Cc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12.CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc12.CC(F)Oc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CCC(C)c1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CCCCc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1
InChIInChI=1S/3C29H31NO.C27H26FNO2.C25H20F2N2O2/c1-20(2)23-10-6-7-11-24(23)26-19-30(27-13-9-8-12-25(26)27)28(31)18-21-14-16-22(17-15-21)29(3,4)5;1-5-21(4)23-16-14-22(15-17-23)18-29(31)30-19-27(26-12-8-9-13-28(26)30)25-11-7-6-10-24(25)20(2)3;1-4-5-10-22-15-17-23(18-16-22)19-29(31)30-20-27(26-13-8-9-14-28(26)30)25-12-7-6-11-24(25)21(2)3;1-18(2)22-8-4-5-9-23(22)25-17-29(26-11-7-6-10-24(25)26)27(30)16-20-12-14-21(15-13-20)31-19(3)28;1-3-17-8-4-5-9-20(17)22-16-29(23-11-7-6-10-21(22)23)24(30)28-18-12-14-19(15-13-18)31-25(2,26)27/h6-17,19-20H,18H2,1-5H3;6-17,19-21H,5,18H2,1-4H3;6-9,11-18,20-21H,4-5,10,19H2,1-3H3;4-15,17-19H,16H2,1-3H3;3-16H,1H2,2H3,(H,28,30)
InChIKeySLPGHNQTEQTOIA-UHFFFAOYSA-N
XLogP37.13
TPSA140.49 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002062.67
LogP ≤ 537.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone with MolForge

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Related Compounds

N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone
CID 123274828
N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 123564633
2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 123677342
3-(2-acetylphenyl)-N-[4-(1,1-difluoroethoxy)phenyl]indole-1-carboxamide;2-(4-phenylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 123781532
N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(methoxymethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 123848222
N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 123864158
3-[4-(4-propan-2-yl-N-[3-(2-propan-2-ylphenyl)indole-1-carbonyl]anilino)phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 143659439
N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-1-en-2-ylphenyl)ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone;2-(4-propan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 157379494
N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 158428036
2-[5-[3,5-Bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide
CID 158813335
2-(4-butoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-[4-(1-ethoxyethenyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 159673075
2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-phenoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 160153087

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?
The IUPAC name of 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone (CID 123302106) is 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone is C=Cc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12.CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc12.CC(F)Oc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CCC(C)c1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CCCCc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?
The InChIKey is SLPGHNQTEQTOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H31NO.C27H26FNO2.C25H20F2N2O2/c1-20(2)23-10-6-7-11-24(23)26-19-30(27-13-9-8-12-25(26)27)28(31)18-21-14-16-22(17-15-21)29(3,4)5;1-5-21(4)23-16-14-22(15-17-23)18-29(31)30-19-27(26-12-8-9-13-28(26)30)25-11-7-6-10-24(25)20(2)3;1-4-5-10-22-15-17-23(18-16-22)19-29(31)30-20-27(26-13-8-9-14-28(26)30)25-12-7-6-11-24(25)21(2)3;1-18(2)22-8-4-5-9-23(22)25-17-29(26-11-7-6-10-24(25)26)27(30)16-20-12-14-21(15-13-20)31-19(3)28;1-3-17-8-4-5-9-20(17)22-16-29(23-11-7-6-10-21(22)23)24(30)28-18-12-14-19(15-13-18)31-25(2,26)27/h6-17,19-20H,18H2,1-5H3;6-17,19-21H,5,18H2,1-4H3;6-9,11-18,20-21H,4-5,10,19H2,1-3H3;4-15,17-19H,16H2,1-3H3;3-16H,1H2,2H3,(H,28,30).
What are the key properties of 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?
2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone has a molecular weight of 2062.67 g/mol, XLogP of 37.13, 28 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethenylphenyl)indole-1-carboxamide;2-[4-(1-fluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone is sourced from PubChem (CID 123302106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).