6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole

C22H18BrN3 — CID 141039314

IUPAC6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
SMILESCn1cc(-c2c[nH]cc2-c2cn(C)c3cc(Br)ccc23)c2ccccc21
InChIInChI=1S/C22H18BrN3/c1-25-12-19(15-5-3-4-6-21(15)25)17-10-24-11-18(17)20-13-26(2)22-9-14(23)7-8-16(20)22/h3-13,24H,1-2H3
InChIKeyCVIGKUSTBVLQBS-UHFFFAOYSA-N
MW404.31 g/mol
LogP6.09
Rot. Bonds2

About 6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole

6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole (PubChem CID 141039314) has the molecular formula C22H18BrN3 and a molecular weight of 404.31 g/mol. Its IUPAC name is 6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole.

Molecular Properties

Compound Name6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
PubChem CID141039314
Molecular FormulaC22H18BrN3
Molecular Weight404.31 g/mol
Exact Mass403.07
IUPAC Name6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
SMILESCn1cc(-c2c[nH]cc2-c2cn(C)c3cc(Br)ccc23)c2ccccc21
InChIInChI=1S/C22H18BrN3/c1-25-12-19(15-5-3-4-6-21(15)25)17-10-24-11-18(17)20-13-26(2)22-9-14(23)7-8-16(20)22/h3-13,24H,1-2H3
InChIKeyCVIGKUSTBVLQBS-UHFFFAOYSA-N
XLogP6.09
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3'-Diindolylmethane
CID 3071
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
3-Indolecarboxylaldehyde, azine
CID 135400613
6-Bromoindole
CID 676493
6-Bromo-2-(1,1-dimethyl-2-propen-1-yl)-N-methyl-1H-indole-3-ethanamine hydrochloride
CID 56675778
3-(6-bromo-1H-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5330709
6-Bromo-2-(1,1-dimethyl-2-propen-1-yl)-N-methyl-1H-indole-3-ethanamine
CID 637026
5-bromo-2-(6-bromo-1H-indol-2-yl)-1-methylindole
CID 76321403
Plakortamine B
CID 10084660
N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine
CID 659062
5-Bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole?
The IUPAC name of 6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole (CID 141039314) is 6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole.
What is the SMILES notation for 6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole?
The canonical SMILES for 6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole is Cn1cc(-c2c[nH]cc2-c2cn(C)c3cc(Br)ccc23)c2ccccc21.
What is the InChIKey of 6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole?
The InChIKey is CVIGKUSTBVLQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3/c1-25-12-19(15-5-3-4-6-21(15)25)17-10-24-11-18(17)20-13-26(2)22-9-14(23)7-8-16(20)22/h3-13,24H,1-2H3.
What are the key properties of 6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole?
6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole has a molecular weight of 404.31 g/mol, XLogP of 6.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole is sourced from PubChem (CID 141039314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).