6,7-dibromo-1-methyl-3-phenylindole

C15H11Br2N — CID 102035092

IUPAC6,7-dibromo-1-methyl-3-phenylindole
SMILESCn1cc(-c2ccccc2)c2ccc(Br)c(Br)c21
InChIInChI=1S/C15H11Br2N/c1-18-9-12(10-5-3-2-4-6-10)11-7-8-13(16)14(17)15(11)18/h2-9H,1H3
InChIKeyPOBULQVQUBCADZ-UHFFFAOYSA-N
MW365.07 g/mol
LogP5.37
Rot. Bonds1

About 6,7-dibromo-1-methyl-3-phenylindole

6,7-dibromo-1-methyl-3-phenylindole (PubChem CID 102035092) has the molecular formula C15H11Br2N and a molecular weight of 365.07 g/mol. Its IUPAC name is 6,7-dibromo-1-methyl-3-phenylindole.

Molecular Properties

Compound Name6,7-dibromo-1-methyl-3-phenylindole
PubChem CID102035092
Molecular FormulaC15H11Br2N
Molecular Weight365.07 g/mol
Exact Mass362.93
IUPAC Name6,7-dibromo-1-methyl-3-phenylindole
SMILESCn1cc(-c2ccccc2)c2ccc(Br)c(Br)c21
InChIInChI=1S/C15H11Br2N/c1-18-9-12(10-5-3-2-4-6-10)11-7-8-13(16)14(17)15(11)18/h2-9H,1H3
InChIKeyPOBULQVQUBCADZ-UHFFFAOYSA-N
XLogP5.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.07
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-tert-butyl-1-methyl-3-phenylbenzo[g]indole
CID 101437835
6,7-dibromo-3-phenyl-1H-indole
CID 134859239
6-chloro-2-methyl-4-phenylisoquinolin-1-one
CID 139653195
9-(2,3-dibromo-6-phenylphenyl)carbazole
CID 141276557
1-(1-methyl-3-phenylindol-6-yl)ethanone
CID 59626112
(2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone
CID 10688487
2-bromo-1,5-diphenylnaphthalene
CID 151219603
3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one
CID 25136620
1-methyl-3-(4-methylphenyl)indole
CID 58931542
1,5-dibromo-2-methoxy-3-phenylbenzene
CID 164895909
4,5-dibromo-1-phenylnaphthalene
CID 155350544
1,4,5,8-tetrabromo-2,6-diphenylnaphthalene
CID 155342029

Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-1-methyl-3-phenylindole?
The IUPAC name of 6,7-dibromo-1-methyl-3-phenylindole (CID 102035092) is 6,7-dibromo-1-methyl-3-phenylindole.
What is the SMILES notation for 6,7-dibromo-1-methyl-3-phenylindole?
The canonical SMILES for 6,7-dibromo-1-methyl-3-phenylindole is Cn1cc(-c2ccccc2)c2ccc(Br)c(Br)c21.
What is the InChIKey of 6,7-dibromo-1-methyl-3-phenylindole?
The InChIKey is POBULQVQUBCADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N/c1-18-9-12(10-5-3-2-4-6-10)11-7-8-13(16)14(17)15(11)18/h2-9H,1H3.
What are the key properties of 6,7-dibromo-1-methyl-3-phenylindole?
6,7-dibromo-1-methyl-3-phenylindole has a molecular weight of 365.07 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-1-methyl-3-phenylindole is sourced from PubChem (CID 102035092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).