6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole

C19H14BrN — CID 167269162

IUPAC6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole
SMILESCc1cc(C)cc(C2=Nc3ccc(Br)c4cccc2c34)c1
InChIInChI=1S/C19H14BrN/c1-11-8-12(2)10-13(9-11)19-15-5-3-4-14-16(20)6-7-17(21-19)18(14)15/h3-10H,1-2H3
InChIKeyVPKUDHLZCWRYMP-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.70
Rot. Bonds1

About 6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole

6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole (PubChem CID 167269162) has the molecular formula C19H14BrN and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole.

Molecular Properties

Compound Name6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole
PubChem CID167269162
Molecular FormulaC19H14BrN
Molecular Weight336.23 g/mol
Exact Mass335.03
IUPAC Name6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole
SMILESCc1cc(C)cc(C2=Nc3ccc(Br)c4cccc2c34)c1
InChIInChI=1S/C19H14BrN/c1-11-8-12(2)10-13(9-11)19-15-5-3-4-14-16(20)6-7-17(21-19)18(14)15/h3-10H,1-2H3
InChIKeyVPKUDHLZCWRYMP-UHFFFAOYSA-N
XLogP5.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole?
The IUPAC name of 6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole (CID 167269162) is 6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole.
What is the SMILES notation for 6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole?
The canonical SMILES for 6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole is Cc1cc(C)cc(C2=Nc3ccc(Br)c4cccc2c34)c1.
What is the InChIKey of 6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole?
The InChIKey is VPKUDHLZCWRYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN/c1-11-8-12(2)10-13(9-11)19-15-5-3-4-14-16(20)6-7-17(21-19)18(14)15/h3-10H,1-2H3.
What are the key properties of 6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole?
6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole has a molecular weight of 336.23 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,5-dimethylphenyl)benzo[cd]indole is sourced from PubChem (CID 167269162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).