[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol

C52H46Br3N3O8 — CID 71560463

IUPAC[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol
SMILESCOc1cc(OC)c2c(-c3ccc(Br)cc3)c(Cc3[nH]c4c(Cc5[nH]c6c(CO)c(OC)cc(OC)c6c5-c5ccc(Br)cc5)c(OC)cc(OC)c4c3-c3ccc(Br)cc3)[nH]c2c1CO
InChIInChI=1S/C52H46Br3N3O8/c1-61-38-21-41(64-4)47-45(27-9-15-30(54)16-10-27)36(20-37-46(28-11-17-31(55)18-12-28)49-43(66-6)23-40(63-3)34(25-60)52(49)58-37)57-50(47)32(38)19-35-44(26-7-13-29(53)14-8-26)48-42(65-5)22-39(62-2)33(24-59)51(48)56-35/h7-18,21-23,56-60H,19-20,24-25H2,1-6H3
InChIKeyZJIICQVNWFWYMK-UHFFFAOYSA-N
MW1080.66 g/mol
LogP12.64
Rot. Bonds15

About [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol

[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol (PubChem CID 71560463) has the molecular formula C52H46Br3N3O8 and a molecular weight of 1080.66 g/mol. Its IUPAC name is [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol
PubChem CID71560463
Molecular FormulaC52H46Br3N3O8
Molecular Weight1080.66 g/mol
Exact Mass1077.08
IUPAC Name[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol
SMILESCOc1cc(OC)c2c(-c3ccc(Br)cc3)c(Cc3[nH]c4c(Cc5[nH]c6c(CO)c(OC)cc(OC)c6c5-c5ccc(Br)cc5)c(OC)cc(OC)c4c3-c3ccc(Br)cc3)[nH]c2c1CO
InChIInChI=1S/C52H46Br3N3O8/c1-61-38-21-41(64-4)47-45(27-9-15-30(54)16-10-27)36(20-37-46(28-11-17-31(55)18-12-28)49-43(66-6)23-40(63-3)34(25-60)52(49)58-37)57-50(47)32(38)19-35-44(26-7-13-29(53)14-8-26)48-42(65-5)22-39(62-2)33(24-59)51(48)56-35/h7-18,21-23,56-60H,19-20,24-25H2,1-6H3
InChIKeyZJIICQVNWFWYMK-UHFFFAOYSA-N
XLogP12.64
TPSA143.21 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.66
LogP ≤ 512.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol with MolForge

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Related Compounds

(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol
CID 86172085
[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867975
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
1-(hydroxymethyl)-2,4-dimethoxyanthracene-9,10-dione
CID 86099558
4-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]phenol
CID 22669970
2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide
CID 102085343
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide
CID 118727783
3-(4-bromophenyl)-2,4-dimethoxyaniline
CID 174856580
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
CID 84802792

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol?
The IUPAC name of [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol (CID 71560463) is [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol.
What is the SMILES notation for [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol?
The canonical SMILES for [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol is COc1cc(OC)c2c(-c3ccc(Br)cc3)c(Cc3[nH]c4c(Cc5[nH]c6c(CO)c(OC)cc(OC)c6c5-c5ccc(Br)cc5)c(OC)cc(OC)c4c3-c3ccc(Br)cc3)[nH]c2c1CO.
What is the InChIKey of [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol?
The InChIKey is ZJIICQVNWFWYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46Br3N3O8/c1-61-38-21-41(64-4)47-45(27-9-15-30(54)16-10-27)36(20-37-46(28-11-17-31(55)18-12-28)49-43(66-6)23-40(63-3)34(25-60)52(49)58-37)57-50(47)32(38)19-35-44(26-7-13-29(53)14-8-26)48-42(65-5)22-39(62-2)33(24-59)51(48)56-35/h7-18,21-23,56-60H,19-20,24-25H2,1-6H3.
What are the key properties of [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol?
[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol has a molecular weight of 1080.66 g/mol, XLogP of 12.64, 15 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol is sourced from PubChem (CID 71560463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).