5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole

C25H20Br2N2O2 — CID 73352359

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(OC)c(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C25H20Br2N2O2/c1-30-16-5-8-24(31-2)19(11-16)25(20-12-28-22-6-3-14(26)9-17(20)22)21-13-29-23-7-4-15(27)10-18(21)23/h3-13,25,28-29H,1-2H3
InChIKeyNOGCJFVDWSCXHH-UHFFFAOYSA-N
MW540.26 g/mol
LogP7.37
Rot. Bonds5

About 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole (PubChem CID 73352359) has the molecular formula C25H20Br2N2O2 and a molecular weight of 540.26 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole
PubChem CID73352359
Molecular FormulaC25H20Br2N2O2
Molecular Weight540.26 g/mol
Exact Mass537.99
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(OC)c(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C25H20Br2N2O2/c1-30-16-5-8-24(31-2)19(11-16)25(20-12-28-22-6-3-14(26)9-17(20)22)21-13-29-23-7-4-15(27)10-18(21)23/h3-13,25,28-29H,1-2H3
InChIKeyNOGCJFVDWSCXHH-UHFFFAOYSA-N
XLogP7.37
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.26
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 115369851
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene
CID 63437065
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
CID 46845933
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole (CID 73352359) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole is COc1ccc(OC)c(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole?
The InChIKey is NOGCJFVDWSCXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Br2N2O2/c1-30-16-5-8-24(31-2)19(11-16)25(20-12-28-22-6-3-14(26)9-17(20)22)21-13-29-23-7-4-15(27)10-18(21)23/h3-13,25,28-29H,1-2H3.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole has a molecular weight of 540.26 g/mol, XLogP of 7.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 73352359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).