3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one

C20H18BrNO2 — CID 166070496

IUPAC3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCCc1cc2c(cc1O)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O
InChIInChI=1S/C20H18BrNO2/c1-4-10-7-13-14(9-16(10)23)20(2,3)19-17(18(13)24)12-6-5-11(21)8-15(12)22-19/h5-9,22-23H,4H2,1-3H3
InChIKeyZMHBSNCRHAHQNK-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.07
Rot. Bonds1

About 3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one

3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one (PubChem CID 166070496) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
PubChem CID166070496
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCCc1cc2c(cc1O)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O
InChIInChI=1S/C20H18BrNO2/c1-4-10-7-13-14(9-16(10)23)20(2,3)19-17(18(13)24)12-6-5-11(21)8-15(12)22-19/h5-9,22-23H,4H2,1-3H3
InChIKeyZMHBSNCRHAHQNK-UHFFFAOYSA-N
XLogP5.07
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11g
CID 44157553
3-bromo-8-(2-(diethylamino)ethoxy)-6,6-dimethyl-5H-benzo[b]carbazol-11(6H)-one
CID 54587776
3-bromo-6,6-dimethyl-9-phenylmethoxy-5H-benzo[b]carbazol-11-one
CID 66834447
3-bromo-6,6-dimethyl-8-[(3S)-oxolan-3-yl]oxy-5H-benzo[b]carbazol-11-one
CID 66834552
3-Bromo-6,6-dimethyl-9-((2R,3R)-2,3,4-trihydroxy-butoxy)-5,6-dihydro-benzo[b]carbazol-11-one
CID 66834689
(4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid
CID 66834980
3-bromo-8-[(4S)-4-hydroxyoxolan-3-yl]oxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 68092559
3-bromo-8-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 70194004
10-hydroxy-5H-benzo[b]carbazole-6,11-dione
CID 13638985
9-Bromo-3-cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-8-yl trifluoromethanesulfonate
CID 54578770
20-Hydroxy-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione
CID 71598222
9-Bromo-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
CID 54578544

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one (CID 166070496) is 3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one is CCc1cc2c(cc1O)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O.
What is the InChIKey of 3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The InChIKey is ZMHBSNCRHAHQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-4-10-7-13-14(9-16(10)23)20(2,3)19-17(18(13)24)12-6-5-11(21)8-15(12)22-19/h5-9,22-23H,4H2,1-3H3.
What are the key properties of 3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one has a molecular weight of 384.27 g/mol, XLogP of 5.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 166070496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).