1-(8-methyldibenzofuran-2-yl)indole;hydrobromide

C21H16BrNO — CID 145083191

IUPAC1-(8-methyldibenzofuran-2-yl)indole;hydrobromide
SMILESBr.Cc1ccc2oc3ccc(-n4ccc5ccccc54)cc3c2c1
InChIInChI=1S/C21H15NO.BrH/c1-14-6-8-20-17(12-14)18-13-16(7-9-21(18)23-20)22-11-10-15-4-2-3-5-19(15)22;/h2-13H,1H3;1H
InChIKeyFLHJMBMCUJPTKG-UHFFFAOYSA-N
MW378.27 g/mol
LogP6.42
Rot. Bonds1

About 1-(8-methyldibenzofuran-2-yl)indole;hydrobromide

1-(8-methyldibenzofuran-2-yl)indole;hydrobromide (PubChem CID 145083191) has the molecular formula C21H16BrNO and a molecular weight of 378.27 g/mol. Its IUPAC name is 1-(8-methyldibenzofuran-2-yl)indole;hydrobromide.

Molecular Properties

Compound Name1-(8-methyldibenzofuran-2-yl)indole;hydrobromide
PubChem CID145083191
Molecular FormulaC21H16BrNO
Molecular Weight378.27 g/mol
Exact Mass377.04
IUPAC Name1-(8-methyldibenzofuran-2-yl)indole;hydrobromide
SMILESBr.Cc1ccc2oc3ccc(-n4ccc5ccccc54)cc3c2c1
InChIInChI=1S/C21H15NO.BrH/c1-14-6-8-20-17(12-14)18-13-16(7-9-21(18)23-20)22-11-10-15-4-2-3-5-19(15)22;/h2-13H,1H3;1H
InChIKeyFLHJMBMCUJPTKG-UHFFFAOYSA-N
XLogP6.42
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromodibenzofuran-2-yl)indole
CID 121360385
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole
CID 122468290
9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
CID 130232168
8-(18-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143905779
1-(3-bromo-4-methoxyphenyl)indole
CID 175262004
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 144930867
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine
CID 123257691
2-(5-methylindol-1-yl)chromen-4-one
CID 15264242
9-[7-(7-methyldibenzofuran-2-yl)dibenzofuran-3-yl]carbazole
CID 170079327

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyldibenzofuran-2-yl)indole;hydrobromide?
The IUPAC name of 1-(8-methyldibenzofuran-2-yl)indole;hydrobromide (CID 145083191) is 1-(8-methyldibenzofuran-2-yl)indole;hydrobromide.
What is the SMILES notation for 1-(8-methyldibenzofuran-2-yl)indole;hydrobromide?
The canonical SMILES for 1-(8-methyldibenzofuran-2-yl)indole;hydrobromide is Br.Cc1ccc2oc3ccc(-n4ccc5ccccc54)cc3c2c1.
What is the InChIKey of 1-(8-methyldibenzofuran-2-yl)indole;hydrobromide?
The InChIKey is FLHJMBMCUJPTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO.BrH/c1-14-6-8-20-17(12-14)18-13-16(7-9-21(18)23-20)22-11-10-15-4-2-3-5-19(15)22;/h2-13H,1H3;1H.
What are the key properties of 1-(8-methyldibenzofuran-2-yl)indole;hydrobromide?
1-(8-methyldibenzofuran-2-yl)indole;hydrobromide has a molecular weight of 378.27 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyldibenzofuran-2-yl)indole;hydrobromide is sourced from PubChem (CID 145083191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).