6,7-dibromo-3-phenyl-1H-indole

C14H9Br2N — CID 134859239

IUPAC6,7-dibromo-3-phenyl-1H-indole
SMILESBrc1ccc2c(-c3ccccc3)c[nH]c2c1Br
InChIInChI=1S/C14H9Br2N/c15-12-7-6-10-11(8-17-14(10)13(12)16)9-4-2-1-3-5-9/h1-8,17H
InChIKeyXGNCOAFAUGMERB-UHFFFAOYSA-N
MW351.04 g/mol
LogP5.36
Rot. Bonds1

About 6,7-dibromo-3-phenyl-1H-indole

6,7-dibromo-3-phenyl-1H-indole (PubChem CID 134859239) has the molecular formula C14H9Br2N and a molecular weight of 351.04 g/mol. Its IUPAC name is 6,7-dibromo-3-phenyl-1H-indole.

Molecular Properties

Compound Name6,7-dibromo-3-phenyl-1H-indole
PubChem CID134859239
Molecular FormulaC14H9Br2N
Molecular Weight351.04 g/mol
Exact Mass348.91
IUPAC Name6,7-dibromo-3-phenyl-1H-indole
SMILESBrc1ccc2c(-c3ccccc3)c[nH]c2c1Br
InChIInChI=1S/C14H9Br2N/c15-12-7-6-10-11(8-17-14(10)13(12)16)9-4-2-1-3-5-9/h1-8,17H
InChIKeyXGNCOAFAUGMERB-UHFFFAOYSA-N
XLogP5.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.04
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

6-bromo-4-phenyl-2H-isoquinolin-1-one
CID 155046719
3-phenyl-1H-pyrrolo[3,4-g]indol-8-one
CID 133084135
methane;3-phenyl-1H-indole
CID 167711687
5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene
CID 144569314
6,7-dibromo-1-methyl-3-phenylindole
CID 102035092
2-bromo-3-chloro-4-phenyl-1H-pyrrole
CID 174732275
2-bromo-1,5-diphenylnaphthalene
CID 151219603
3-bromo-2,6-diphenylpyridine
CID 56839636
1-bromo-2-phenylnaphthalene
CID 10956972
2-[(3-phenyl-1H-pyrrolo[2,3-c]pyridin-7-yl)amino]ethanol
CID 86179128
1-bromo-4-phenyl-9H-carbazole
CID 152676128
9-(2,3-dibromo-6-phenylphenyl)carbazole
CID 141276557

Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-3-phenyl-1H-indole?
The IUPAC name of 6,7-dibromo-3-phenyl-1H-indole (CID 134859239) is 6,7-dibromo-3-phenyl-1H-indole.
What is the SMILES notation for 6,7-dibromo-3-phenyl-1H-indole?
The canonical SMILES for 6,7-dibromo-3-phenyl-1H-indole is Brc1ccc2c(-c3ccccc3)c[nH]c2c1Br.
What is the InChIKey of 6,7-dibromo-3-phenyl-1H-indole?
The InChIKey is XGNCOAFAUGMERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N/c15-12-7-6-10-11(8-17-14(10)13(12)16)9-4-2-1-3-5-9/h1-8,17H.
What are the key properties of 6,7-dibromo-3-phenyl-1H-indole?
6,7-dibromo-3-phenyl-1H-indole has a molecular weight of 351.04 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-3-phenyl-1H-indole is sourced from PubChem (CID 134859239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).