3,6-dibromo-9-(3,5-dimethylphenyl)carbazole

C20H15Br2N — CID 129319319

IUPAC3,6-dibromo-9-(3,5-dimethylphenyl)carbazole
SMILESCc1cc(C)cc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C20H15Br2N/c1-12-7-13(2)9-16(8-12)23-19-5-3-14(21)10-17(19)18-11-15(22)4-6-20(18)23/h3-11H,1-2H3
InChIKeyASACIWHKQZICTN-UHFFFAOYSA-N
MW429.16 g/mol
LogP6.93
Rot. Bonds1

About 3,6-dibromo-9-(3,5-dimethylphenyl)carbazole

3,6-dibromo-9-(3,5-dimethylphenyl)carbazole (PubChem CID 129319319) has the molecular formula C20H15Br2N and a molecular weight of 429.16 g/mol. Its IUPAC name is 3,6-dibromo-9-(3,5-dimethylphenyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(3,5-dimethylphenyl)carbazole
PubChem CID129319319
Molecular FormulaC20H15Br2N
Molecular Weight429.16 g/mol
Exact Mass426.96
IUPAC Name3,6-dibromo-9-(3,5-dimethylphenyl)carbazole
SMILESCc1cc(C)cc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C20H15Br2N/c1-12-7-13(2)9-16(8-12)23-19-5-3-14(21)10-17(19)18-11-15(22)4-6-20(18)23/h3-11H,1-2H3
InChIKeyASACIWHKQZICTN-UHFFFAOYSA-N
XLogP6.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.16
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(3,5-dimethylphenyl)carbazole?
The IUPAC name of 3,6-dibromo-9-(3,5-dimethylphenyl)carbazole (CID 129319319) is 3,6-dibromo-9-(3,5-dimethylphenyl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(3,5-dimethylphenyl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(3,5-dimethylphenyl)carbazole is Cc1cc(C)cc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c1.
What is the InChIKey of 3,6-dibromo-9-(3,5-dimethylphenyl)carbazole?
The InChIKey is ASACIWHKQZICTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2N/c1-12-7-13(2)9-16(8-12)23-19-5-3-14(21)10-17(19)18-11-15(22)4-6-20(18)23/h3-11H,1-2H3.
What are the key properties of 3,6-dibromo-9-(3,5-dimethylphenyl)carbazole?
3,6-dibromo-9-(3,5-dimethylphenyl)carbazole has a molecular weight of 429.16 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(3,5-dimethylphenyl)carbazole is sourced from PubChem (CID 129319319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).