1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene

C147H155N7O4 — CID 157211688

IUPAC1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene
SMILESCC=C(c1ccccc1)c1ccccc1.CCCCOc1ccc2[nH]cc(C)c2c1.CCCCn1cc(C)c2ccccc21.CCCc1c2ccccc2cc2ccccc12.CCCc1cccc2ccccc12.CCc1ccccc1Oc1ccccc1.COCCOc1ccc2[nH]cc(C)c2c1.Cc1c[nH]c2ccccc12.Cc1cccc2[nH]ccc12.Cc1cccc2c1ccn2Cc1ccccc1.Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H16.2C16H15N.C15H14.C14H14O.C13H17NO.C13H17N.C13H14.C12H15NO2.2C9H9N/c1-2-7-17-15-10-5-3-8-13(15)12-14-9-4-6-11-16(14)17;1-13-6-5-9-16-15(13)10-11-17(16)12-14-7-3-2-4-8-14;1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-3-4-7-15-11-5-6-13-12(8-11)10(2)9-14-13;1-3-4-9-14-10-11(2)12-7-5-6-8-13(12)14;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-9-8-13-12-4-3-10(7-11(9)12)15-6-5-14-2;1-7-3-2-4-9-8(7)5-6-10-9;1-7-6-10-9-5-3-2-4-8(7)9/h3-6,8-12H,2,7H2,1H3;2*2-11H,12H2,1H3;2-12H,1H3;3-11H,2H2,1H3;5-6,8-9,14H,3-4,7H2,1-2H3;5-8,10H,3-4,9H2,1-2H3;3-5,7-10H,2,6H2,1H3;3-4,7-8,13H,5-6H2,1-2H3;2*2-6,10H,1H3
InChIKeyARYOTRBQWQIJQK-UHFFFAOYSA-N
MW2083.90 g/mol
LogP39.77
Rot. Bonds24

About 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene

1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene (PubChem CID 157211688) has the molecular formula C147H155N7O4 and a molecular weight of 2083.90 g/mol. Its IUPAC name is 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene.

Molecular Properties

Compound Name1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene
PubChem CID157211688
Molecular FormulaC147H155N7O4
Molecular Weight2083.90 g/mol
Exact Mass2082.21
IUPAC Name1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene
SMILESCC=C(c1ccccc1)c1ccccc1.CCCCOc1ccc2[nH]cc(C)c2c1.CCCCn1cc(C)c2ccccc21.CCCc1c2ccccc2cc2ccccc12.CCCc1cccc2ccccc12.CCc1ccccc1Oc1ccccc1.COCCOc1ccc2[nH]cc(C)c2c1.Cc1c[nH]c2ccccc12.Cc1cccc2[nH]ccc12.Cc1cccc2c1ccn2Cc1ccccc1.Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H16.2C16H15N.C15H14.C14H14O.C13H17NO.C13H17N.C13H14.C12H15NO2.2C9H9N/c1-2-7-17-15-10-5-3-8-13(15)12-14-9-4-6-11-16(14)17;1-13-6-5-9-16-15(13)10-11-17(16)12-14-7-3-2-4-8-14;1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-3-4-7-15-11-5-6-13-12(8-11)10(2)9-14-13;1-3-4-9-14-10-11(2)12-7-5-6-8-13(12)14;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-9-8-13-12-4-3-10(7-11(9)12)15-6-5-14-2;1-7-3-2-4-9-8(7)5-6-10-9;1-7-6-10-9-5-3-2-4-8(7)9/h3-6,8-12H,2,7H2,1H3;2*2-11H,12H2,1H3;2-12H,1H3;3-11H,2H2,1H3;5-6,8-9,14H,3-4,7H2,1-2H3;5-8,10H,3-4,9H2,1-2H3;3-5,7-10H,2,6H2,1H3;3-4,7-8,13H,5-6H2,1-2H3;2*2-6,10H,1H3
InChIKeyARYOTRBQWQIJQK-UHFFFAOYSA-N
XLogP39.77
TPSA114.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002083.90
LogP ≤ 539.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene with MolForge

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Related Compounds

2-(5-{3-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine
CID 10647387
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethoxy}-1H-indol-3-yl)-ethylamine
CID 10809674
2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methyl)phenyl)methoxy)-1H-indol-3-yl)ethanamine
CID 11797998
2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yloxy)ethoxy)-1H-indol-3-yl)ethanamine
CID 44279525
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine
CID 11797999
3-[[10-[bis(5-hydroxy-1H-indol-3-yl)methyl]anthracen-9-yl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155564501
2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride
CID 70051222
3-[[10-[bis(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroanthracen-9-yl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155539876
3-[[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]-2,3,5,6-tetramethylphenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155550885
3-[[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]-2,5-dimethylphenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155561019
3-[[5-[bis(5-hydroxy-1H-indol-3-yl)methyl]naphthalen-1-yl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155565374
5-phenylmethoxy-3-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-1H-indole
CID 137639966

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene?
The IUPAC name of 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene (CID 157211688) is 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene.
What is the SMILES notation for 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene?
The canonical SMILES for 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene is CC=C(c1ccccc1)c1ccccc1.CCCCOc1ccc2[nH]cc(C)c2c1.CCCCn1cc(C)c2ccccc21.CCCc1c2ccccc2cc2ccccc12.CCCc1cccc2ccccc12.CCc1ccccc1Oc1ccccc1.COCCOc1ccc2[nH]cc(C)c2c1.Cc1c[nH]c2ccccc12.Cc1cccc2[nH]ccc12.Cc1cccc2c1ccn2Cc1ccccc1.Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene?
The InChIKey is ARYOTRBQWQIJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16.2C16H15N.C15H14.C14H14O.C13H17NO.C13H17N.C13H14.C12H15NO2.2C9H9N/c1-2-7-17-15-10-5-3-8-13(15)12-14-9-4-6-11-16(14)17;1-13-6-5-9-16-15(13)10-11-17(16)12-14-7-3-2-4-8-14;1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-3-4-7-15-11-5-6-13-12(8-11)10(2)9-14-13;1-3-4-9-14-10-11(2)12-7-5-6-8-13(12)14;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-9-8-13-12-4-3-10(7-11(9)12)15-6-5-14-2;1-7-3-2-4-9-8(7)5-6-10-9;1-7-6-10-9-5-3-2-4-8(7)9/h3-6,8-12H,2,7H2,1H3;2*2-11H,12H2,1H3;2-12H,1H3;3-11H,2H2,1H3;5-6,8-9,14H,3-4,7H2,1-2H3;5-8,10H,3-4,9H2,1-2H3;3-5,7-10H,2,6H2,1H3;3-4,7-8,13H,5-6H2,1-2H3;2*2-6,10H,1H3.
What are the key properties of 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene?
1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene has a molecular weight of 2083.90 g/mol, XLogP of 39.77, 24 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butyl-3-methylindole;1-ethyl-2-phenoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene is sourced from PubChem (CID 157211688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).