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

C134H125F6N7O10 — CID 159673075

IUPAC2-(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
SMILESC=C(OCC)c1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(C(C)(F)F)cc2)c2ccccc12.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3C=O)c3ccccc32)cc1.CCCCOc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12
InChIInChI=1S/C29H29NO2.C29H31NO2.C27H25F2NO.C25H22F2N2O2.C24H18F2N2O3/c1-5-32-21(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;1-4-5-18-32-23-16-14-22(15-17-23)19-29(31)30-20-27(26-12-8-9-13-28(26)30)25-11-7-6-10-24(25)21(2)3;1-18(2)21-8-4-5-9-22(21)24-17-30(25-11-7-6-10-23(24)25)26(31)16-19-12-14-20(15-13-19)27(3,28)29;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;1-24(25,26)31-18-12-10-17(11-13-18)27-23(30)28-14-21(20-8-4-5-9-22(20)28)19-7-3-2-6-16(19)15-29/h6-17,19-20H,4-5,18H2,1-3H3;6-17,20-21H,4-5,18-19H2,1-3H3;4-15,17-18H,16H2,1-3H3;4-16H,3H2,1-2H3,(H,28,30);2-15H,1H3,(H,27,30)
InChIKeyMUFZWPFFUAHYIK-UHFFFAOYSA-N
MW2107.50 g/mol
LogP35.38
Rot. Bonds30

About 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

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 (PubChem CID 159673075) has the molecular formula C134H125F6N7O10 and a molecular weight of 2107.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159673075
Molecular FormulaC134H125F6N7O10
Molecular Weight2107.50 g/mol
Exact Mass2105.94
IUPAC Name2-(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
SMILESC=C(OCC)c1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(C(C)(F)F)cc2)c2ccccc12.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3C=O)c3ccccc32)cc1.CCCCOc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12
InChIInChI=1S/C29H29NO2.C29H31NO2.C27H25F2NO.C25H22F2N2O2.C24H18F2N2O3/c1-5-32-21(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;1-4-5-18-32-23-16-14-22(15-17-23)19-29(31)30-20-27(26-12-8-9-13-28(26)30)25-11-7-6-10-24(25)21(2)3;1-18(2)21-8-4-5-9-22(21)24-17-30(25-11-7-6-10-23(24)25)26(31)16-19-12-14-20(15-13-19)27(3,28)29;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;1-24(25,26)31-18-12-10-17(11-13-18)27-23(30)28-14-21(20-8-4-5-9-22(20)28)19-7-3-2-6-16(19)15-29/h6-17,19-20H,4-5,18H2,1-3H3;6-17,20-21H,4-5,18-19H2,1-3H3;4-15,17-18H,16H2,1-3H3;4-16H,3H2,1-2H3,(H,28,30);2-15H,1H3,(H,27,30)
InChIKeyMUFZWPFFUAHYIK-UHFFFAOYSA-N
XLogP35.38
TPSA188.05 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.50
LogP ≤ 535.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide
CID 88934921
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
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
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
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 157080571
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-[[2,4-bis(ethenyl)cyclopentyl]methoxy]phenyl]-3-methyl-N-phenylaniline;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 158137501
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158413089

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(OCC)c1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(C(C)(F)F)cc2)c2ccccc12.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3C=O)c3ccccc32)cc1.CCCCOc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is MUFZWPFFUAHYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO2.C29H31NO2.C27H25F2NO.C25H22F2N2O2.C24H18F2N2O3/c1-5-32-21(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;1-4-5-18-32-23-16-14-22(15-17-23)19-29(31)30-20-27(26-12-8-9-13-28(26)30)25-11-7-6-10-24(25)21(2)3;1-18(2)21-8-4-5-9-22(21)24-17-30(25-11-7-6-10-23(24)25)26(31)16-19-12-14-20(15-13-19)27(3,28)29;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;1-24(25,26)31-18-12-10-17(11-13-18)27-23(30)28-14-21(20-8-4-5-9-22(20)28)19-7-3-2-6-16(19)15-29/h6-17,19-20H,4-5,18H2,1-3H3;6-17,20-21H,4-5,18-19H2,1-3H3;4-15,17-18H,16H2,1-3H3;4-16H,3H2,1-2H3,(H,28,30);2-15H,1H3,(H,27,30).
What are the key properties of 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?
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 has a molecular weight of 2107.50 g/mol, XLogP of 35.38, 30 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159673075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).