1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole

C26H23BrN2 — CID 155244032

IUPAC1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole
SMILESCc1c(C)n(-c2cccc(-n3c(C)c(C)c4ccccc43)c2Br)c2ccccc12
InChIInChI=1S/C26H23BrN2/c1-16-18(3)28(22-12-7-5-10-20(16)22)24-14-9-15-25(26(24)27)29-19(4)17(2)21-11-6-8-13-23(21)29/h5-15H,1-4H3
InChIKeyGNCYJJJMDAVTIE-UHFFFAOYSA-N
MW443.39 g/mol
LogP7.57
Rot. Bonds2

About 1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole

1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole (PubChem CID 155244032) has the molecular formula C26H23BrN2 and a molecular weight of 443.39 g/mol. Its IUPAC name is 1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole.

Molecular Properties

Compound Name1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole
PubChem CID155244032
Molecular FormulaC26H23BrN2
Molecular Weight443.39 g/mol
Exact Mass442.10
IUPAC Name1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole
SMILESCc1c(C)n(-c2cccc(-n3c(C)c(C)c4ccccc43)c2Br)c2ccccc12
InChIInChI=1S/C26H23BrN2/c1-16-18(3)28(22-12-7-5-10-20(16)22)24-14-9-15-25(26(24)27)29-19(4)17(2)21-11-6-8-13-23(21)29/h5-15H,1-4H3
InChIKeyGNCYJJJMDAVTIE-UHFFFAOYSA-N
XLogP7.57
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.39
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2,3-dimethylindole
CID 146003926
1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole
CID 165025513
ethane;1,2,3-trimethylindole
CID 91590745
5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole
CID 164534086
1-iodo-2,3-dimethylindole
CID 146323818
bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);titanium(4+);dichloride
CID 87862979
hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride
CID 87862650
9-[2-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 67374081
benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole
CID 158960873
7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole
CID 164534080
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
CID 147406745
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole?
The IUPAC name of 1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole (CID 155244032) is 1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole.
What is the SMILES notation for 1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole?
The canonical SMILES for 1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole is Cc1c(C)n(-c2cccc(-n3c(C)c(C)c4ccccc43)c2Br)c2ccccc12.
What is the InChIKey of 1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole?
The InChIKey is GNCYJJJMDAVTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2/c1-16-18(3)28(22-12-7-5-10-20(16)22)24-14-9-15-25(26(24)27)29-19(4)17(2)21-11-6-8-13-23(21)29/h5-15H,1-4H3.
What are the key properties of 1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole?
1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole has a molecular weight of 443.39 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole is sourced from PubChem (CID 155244032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).