2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone

C118H128F2N8O11 — CID 157207983

IUPAC2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(Oc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)cc2)cc1.Cc1c(C)n(CCCN(C)C)c2ccc(Oc3ccc(C(=O)Cc4ccc(F)cc4)cc3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Oc3ccc(C(=O)Cc4ccc5c(c4)OCO5)cc3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Oc3ccc(C(=O)Cc4cccc(F)c4)cc3)cc12
InChIInChI=1S/C30H32N2O4.C30H34N2O3.2C29H31FN2O2/c1-20-21(2)32(15-5-14-31(3)4)27-12-11-25(18-26(20)27)36-24-9-7-23(8-10-24)28(33)16-22-6-13-29-30(17-22)35-19-34-29;1-21-22(2)32(18-6-17-31(3)4)29-16-15-27(20-28(21)29)35-26-13-9-24(10-14-26)30(33)19-23-7-11-25(34-5)12-8-23;1-20-21(2)32(17-5-16-31(3)4)28-15-14-26(19-27(20)28)34-25-12-8-23(9-13-25)29(33)18-22-6-10-24(30)11-7-22;1-20-21(2)32(16-6-15-31(3)4)28-14-13-26(19-27(20)28)34-25-11-9-23(10-12-25)29(33)18-22-7-5-8-24(30)17-22/h6-13,17-18H,5,14-16,19H2,1-4H3;7-16,20H,6,17-19H2,1-5H3;6-15,19H,5,16-18H2,1-4H3;5,7-14,17,19H,6,15-16,18H2,1-4H3
InChIKeyAROHWAQKXDYRFD-UHFFFAOYSA-N
MW1872.36 g/mol
LogP25.73
Rot. Bonds37

About 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone

2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone (PubChem CID 157207983) has the molecular formula C118H128F2N8O11 and a molecular weight of 1872.36 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone
PubChem CID157207983
Molecular FormulaC118H128F2N8O11
Molecular Weight1872.36 g/mol
Exact Mass1870.97
IUPAC Name2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(Oc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)cc2)cc1.Cc1c(C)n(CCCN(C)C)c2ccc(Oc3ccc(C(=O)Cc4ccc(F)cc4)cc3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Oc3ccc(C(=O)Cc4ccc5c(c4)OCO5)cc3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Oc3ccc(C(=O)Cc4cccc(F)c4)cc3)cc12
InChIInChI=1S/C30H32N2O4.C30H34N2O3.2C29H31FN2O2/c1-20-21(2)32(15-5-14-31(3)4)27-12-11-25(18-26(20)27)36-24-9-7-23(8-10-24)28(33)16-22-6-13-29-30(17-22)35-19-34-29;1-21-22(2)32(18-6-17-31(3)4)29-16-15-27(20-28(21)29)35-26-13-9-24(10-14-26)30(33)19-23-7-11-25(34-5)12-8-23;1-20-21(2)32(17-5-16-31(3)4)28-15-14-26(19-27(20)28)34-25-12-8-23(9-13-25)29(33)18-22-6-10-24(30)11-7-22;1-20-21(2)32(16-6-15-31(3)4)28-14-13-26(19-27(20)28)34-25-11-9-23(10-12-25)29(33)18-22-7-5-8-24(30)17-22/h6-13,17-18H,5,14-16,19H2,1-4H3;7-16,20H,6,17-19H2,1-5H3;6-15,19H,5,16-18H2,1-4H3;5,7-14,17,19H,6,15-16,18H2,1-4H3
InChIKeyAROHWAQKXDYRFD-UHFFFAOYSA-N
XLogP25.73
TPSA165.57 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001872.36
LogP ≤ 525.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone with MolForge

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Related Compounds

14-[(2R)-2-[(1R)-2,4-bis(3-fluorophenyl)-5-methyl-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)cyclopenta-2,4-dien-1-yl]propyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139553778
(3,4-Dimethoxyphenyl)-[3-[1-(3-methylbutyl)indol-3-yl]pyrrolidin-1-yl]methanone;(4-propylphenyl)-[3-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]pyrrolidin-1-yl]methanone
CID 161133372
6-(Difluoromethoxy)-1-(difluoromethyl)indole-3-carbonitrile;ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carbonitrile;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;6-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carbonitrile
CID 161297032
14-[(3E,5Z,7Z,9E)-4-(2-carbazol-9-ylpropan-2-yl)-10-fluoro-6-(2-fluorophenyl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)undeca-3,5,7,9-tetraen-3-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163859547
[4-[2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone
CID 164995630
[3,5-Bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 165028851
14-[(1R)-1-[(1S)-2,4-bis(2-fluorophenyl)-5-methyl-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)cyclopenta-2,4-dien-1-yl]ethyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 173829161
1,2-Bis(5-benzyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethane-1,2-dione
CID 16680218
Ethyl 7-[4-[4-[3-[[2-ethoxycarbonyl-3-(3-formylphenyl)indol-1-yl]methyl]phenoxy]-2-methylbutan-2-yl]phenyl]-5-[[3-[2-[[2-ethoxycarbonyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methyl]cyclopropyl]-5-methoxyphenyl]methyl]-[1,3]dioxolo[4,5-f]indole-6-carboxylate
CID 162578328
methyl 3,4,5-tris(4-(9H-carbazol-9-yl)butoxy)benzoate
CID 11542429
methyl 3,5-bis(3,4,5-tris(4-(9H-carbazol-9-yl)butoxy)benzyloxy)benzoate
CID 86640584
[4-[2-(1,3-Benzodioxol-5-yl)ethyl]piperazin-1-yl]-[4-[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]oxyphenyl]methanone
CID 118669892

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone (CID 157207983) is 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2ccc(Oc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)cc2)cc1.Cc1c(C)n(CCCN(C)C)c2ccc(Oc3ccc(C(=O)Cc4ccc(F)cc4)cc3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Oc3ccc(C(=O)Cc4ccc5c(c4)OCO5)cc3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Oc3ccc(C(=O)Cc4cccc(F)c4)cc3)cc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is AROHWAQKXDYRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4.C30H34N2O3.2C29H31FN2O2/c1-20-21(2)32(15-5-14-31(3)4)27-12-11-25(18-26(20)27)36-24-9-7-23(8-10-24)28(33)16-22-6-13-29-30(17-22)35-19-34-29;1-21-22(2)32(18-6-17-31(3)4)29-16-15-27(20-28(21)29)35-26-13-9-24(10-14-26)30(33)19-23-7-11-25(34-5)12-8-23;1-20-21(2)32(17-5-16-31(3)4)28-15-14-26(19-27(20)28)34-25-12-8-23(9-13-25)29(33)18-22-6-10-24(30)11-7-22;1-20-21(2)32(16-6-15-31(3)4)28-14-13-26(19-27(20)28)34-25-11-9-23(10-12-25)29(33)18-22-7-5-8-24(30)17-22/h6-13,17-18H,5,14-16,19H2,1-4H3;7-16,20H,6,17-19H2,1-5H3;6-15,19H,5,16-18H2,1-4H3;5,7-14,17,19H,6,15-16,18H2,1-4H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone?
2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 1872.36 g/mol, XLogP of 25.73, 37 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(3-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-fluorophenyl)ethanone;1-[4-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 157207983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).