3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one

C18H15BrN2O2 — CID 70197182

IUPAC3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCC1(C)c2cc(O)ccc2C(=O)c2c1[nH]c1c(Br)c(N)ccc21
InChIInChI=1S/C18H15BrN2O2/c1-18(2)11-7-8(22)3-4-9(11)16(23)13-10-5-6-12(20)14(19)15(10)21-17(13)18/h3-7,21-22H,20H2,1-2H3
InChIKeyFLHVIEYLGMSSNW-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.09
Rot. Bonds

About 3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one

3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one (PubChem CID 70197182) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
PubChem CID70197182
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCC1(C)c2cc(O)ccc2C(=O)c2c1[nH]c1c(Br)c(N)ccc21
InChIInChI=1S/C18H15BrN2O2/c1-18(2)11-7-8(22)3-4-9(11)16(23)13-10-5-6-12(20)14(19)15(10)21-17(13)18/h3-7,21-22H,20H2,1-2H3
InChIKeyFLHVIEYLGMSSNW-UHFFFAOYSA-N
XLogP4.09
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one (CID 70197182) is 3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one is CC1(C)c2cc(O)ccc2C(=O)c2c1[nH]c1c(Br)c(N)ccc21.
What is the InChIKey of 3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The InChIKey is FLHVIEYLGMSSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-18(2)11-7-8(22)3-4-9(11)16(23)13-10-5-6-12(20)14(19)15(10)21-17(13)18/h3-7,21-22H,20H2,1-2H3.
What are the key properties of 3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one has a molecular weight of 371.23 g/mol, XLogP of 4.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 70197182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).