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

C21H18Br2N2O — CID 2836187

IUPAC1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H18Br2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h1-11,17,24,26H,12-13H2
InChIKeyFZHHRERIIVOATI-UHFFFAOYSA-N
MW474.20 g/mol
LogP5.79
Rot. Bonds5

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

1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 2836187) has the molecular formula C21H18Br2N2O and a molecular weight of 474.20 g/mol. Its IUPAC name is 1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID2836187
Molecular FormulaC21H18Br2N2O
Molecular Weight474.20 g/mol
Exact Mass471.98
IUPAC Name1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H18Br2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h1-11,17,24,26H,12-13H2
InChIKeyFZHHRERIIVOATI-UHFFFAOYSA-N
XLogP5.79
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.20
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 2836187) is 1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is OC(CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is FZHHRERIIVOATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h1-11,17,24,26H,12-13H2.
What are the key properties of 1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 474.20 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2836187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).