1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol

C17H18Br2N2O — CID 2775510

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3
InChIKeyXUBJEDZHBUPBKL-UHFFFAOYSA-N
MW426.15 g/mol
LogP4.24
Rot. Bonds4

About 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol (PubChem CID 2775510) has the molecular formula C17H18Br2N2O and a molecular weight of 426.15 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol
PubChem CID2775510
Molecular FormulaC17H18Br2N2O
Molecular Weight426.15 g/mol
Exact Mass423.98
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3
InChIKeyXUBJEDZHBUPBKL-UHFFFAOYSA-N
XLogP4.24
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol (CID 2775510) is 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol is CN(C)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol?
The InChIKey is XUBJEDZHBUPBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol has a molecular weight of 426.15 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 2775510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).