8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C20H15BrN2O2 — CID 66834078

IUPAC8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCOc1cc2c(cc1Br)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C20H15BrN2O2/c1-20(2)13-8-14(21)16(25-3)7-12(13)18(24)17-11-5-4-10(9-22)6-15(11)23-19(17)20/h4-8,23H,1-3H3
InChIKeyVHHHHRBBOLSTPE-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.68
Rot. Bonds1

About 8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834078) has the molecular formula C20H15BrN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66834078
Molecular FormulaC20H15BrN2O2
Molecular Weight395.26 g/mol
Exact Mass394.03
IUPAC Name8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCOc1cc2c(cc1Br)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C20H15BrN2O2/c1-20(2)13-8-14(21)16(25-3)7-12(13)18(24)17-11-5-4-10(9-22)6-15(11)23-19(17)20/h4-8,23H,1-3H3
InChIKeyVHHHHRBBOLSTPE-UHFFFAOYSA-N
XLogP4.68
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 66834078) is 8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is COc1cc2c(cc1Br)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.
What is the InChIKey of 8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is VHHHHRBBOLSTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O2/c1-20(2)13-8-14(21)16(25-3)7-12(13)18(24)17-11-5-4-10(9-22)6-15(11)23-19(17)20/h4-8,23H,1-3H3.
What are the key properties of 8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 395.26 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).