6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate

C89H76Br3N5O5 — CID 159785981

IUPAC6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate
SMILESBrc1ccc2cc[nH]c2c1.COc1ccc(Cn2ccc3ccc(-c4ccc5c(c4)CC=C5)cc32)cc1.COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(OC=O)c6)c5c4)cc32)cc1.COc1ccc(Cn2ccc3ccc(Br)cc32)cc1.Cc1ccc(CBr)cc1
InChIInChI=1S/C32H26N2O3.C25H21NO.C16H14BrNO.C8H6BrN.C8H9Br/c1-36-29-11-5-23(6-12-29)20-33-15-13-25-7-9-27(18-31(25)33)28-10-8-26-14-16-34(32(26)19-28)21-24-3-2-4-30(17-24)37-22-35;1-27-24-11-5-18(6-12-24)17-26-14-13-20-8-10-23(16-25(20)26)22-9-7-19-3-2-4-21(19)15-22;1-19-15-6-2-12(3-7-15)11-18-9-8-13-4-5-14(17)10-16(13)18;9-7-2-1-6-3-4-10-8(6)5-7;1-7-2-4-8(6-9)5-3-7/h2-19,22H,20-21H2,1H3;2-3,5-16H,4,17H2,1H3;2-10H,11H2,1H3;1-5,10H;2-5H,6H2,1H3
InChIKeyNHYKOXCPVSMHKN-UHFFFAOYSA-N
MW1535.33 g/mol
LogP23.12
Rot. Bonds16

About 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate

6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate (PubChem CID 159785981) has the molecular formula C89H76Br3N5O5 and a molecular weight of 1535.33 g/mol. Its IUPAC name is 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate.

Molecular Properties

Compound Name6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate
PubChem CID159785981
Molecular FormulaC89H76Br3N5O5
Molecular Weight1535.33 g/mol
Exact Mass1531.34
IUPAC Name6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate
SMILESBrc1ccc2cc[nH]c2c1.COc1ccc(Cn2ccc3ccc(-c4ccc5c(c4)CC=C5)cc32)cc1.COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(OC=O)c6)c5c4)cc32)cc1.COc1ccc(Cn2ccc3ccc(Br)cc32)cc1.Cc1ccc(CBr)cc1
InChIInChI=1S/C32H26N2O3.C25H21NO.C16H14BrNO.C8H6BrN.C8H9Br/c1-36-29-11-5-23(6-12-29)20-33-15-13-25-7-9-27(18-31(25)33)28-10-8-26-14-16-34(32(26)19-28)21-24-3-2-4-30(17-24)37-22-35;1-27-24-11-5-18(6-12-24)17-26-14-13-20-8-10-23(16-25(20)26)22-9-7-19-3-2-4-21(19)15-22;1-19-15-6-2-12(3-7-15)11-18-9-8-13-4-5-14(17)10-16(13)18;9-7-2-1-6-3-4-10-8(6)5-7;1-7-2-4-8(6-9)5-3-7/h2-19,22H,20-21H2,1H3;2-3,5-16H,4,17H2,1H3;2-10H,11H2,1H3;1-5,10H;2-5H,6H2,1H3
InChIKeyNHYKOXCPVSMHKN-UHFFFAOYSA-N
XLogP23.12
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001535.33
LogP ≤ 523.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate with MolForge

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Related Compounds

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
6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate
CID 159047394
5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-[2-(6-bromo-1H-indol-2-yl)ethyl]-6-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;2-(3H-inden-1-yl)-5-methoxy-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1-[(4-methylphenyl)methyl]-2H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 159484143
2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene
CID 159517938
1,2-Bis(bromomethyl)-4-methoxybenzene;5-(5-methoxy-1,3-dihydroisoindol-2-yl)-1-methylindole;1-methylindol-5-amine
CID 159581680
3-[1-(3-bromophenyl)-2-pyridin-2-ylethyl]-2-methyl-1H-indole;3-[1-(4-bromophenyl)-2-pyridin-2-ylethyl]-2-methyl-1H-indole;3-[1-(3-methoxyphenyl)-2-pyridin-2-ylethyl]-2-methyl-1H-indole;3-[1-(4-methoxyphenyl)-2-pyridin-2-ylethyl]-2-methyl-1H-indole;2-methyl-3-[1-(4-methylphenyl)-2-pyridin-2-ylethyl]-1H-indole
CID 160276451
5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole
CID 71517758
3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole
CID 101461872
55,56-Bis(4-bromophenyl)-7,9,22,24-tetramethoxy-4,12,19,27,37,46-hexazadecacyclo[44.6.1.13,6.125,28.130,37.05,10.021,26.031,36.039,44.047,52]hexapentaconta-1(53),3(56),5(10),6,8,11,19,21(26),22,24,28(55),30(54),31,33,35,39,41,43,47,49,51-henicosaene
CID 177544471

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate?
The IUPAC name of 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate (CID 159785981) is 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate.
What is the SMILES notation for 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate?
The canonical SMILES for 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate is Brc1ccc2cc[nH]c2c1.COc1ccc(Cn2ccc3ccc(-c4ccc5c(c4)CC=C5)cc32)cc1.COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(OC=O)c6)c5c4)cc32)cc1.COc1ccc(Cn2ccc3ccc(Br)cc32)cc1.Cc1ccc(CBr)cc1.
What is the InChIKey of 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate?
The InChIKey is NHYKOXCPVSMHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O3.C25H21NO.C16H14BrNO.C8H6BrN.C8H9Br/c1-36-29-11-5-23(6-12-29)20-33-15-13-25-7-9-27(18-31(25)33)28-10-8-26-14-16-34(32(26)19-28)21-24-3-2-4-30(17-24)37-22-35;1-27-24-11-5-18(6-12-24)17-26-14-13-20-8-10-23(16-25(20)26)22-9-7-19-3-2-4-21(19)15-22;1-19-15-6-2-12(3-7-15)11-18-9-8-13-4-5-14(17)10-16(13)18;9-7-2-1-6-3-4-10-8(6)5-7;1-7-2-4-8(6-9)5-3-7/h2-19,22H,20-21H2,1H3;2-3,5-16H,4,17H2,1H3;2-10H,11H2,1H3;1-5,10H;2-5H,6H2,1H3.
What are the key properties of 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate?
6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate has a molecular weight of 1535.33 g/mol, XLogP of 23.12, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indole;6-bromo-1-[(4-methoxyphenyl)methyl]indole;1-(bromomethyl)-4-methylbenzene;6-(3H-inden-5-yl)-1-[(4-methoxyphenyl)methyl]indole;[3-[[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]phenyl] formate is sourced from PubChem (CID 159785981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).