3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole

C19H17Br2NO — CID 66834574

IUPAC3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole
SMILESCOc1cc2c(cc1Br)Cc1c([nH]c3cc(Br)ccc13)C2(C)C
InChIInChI=1S/C19H17Br2NO/c1-19(2)14-9-17(23-3)15(21)7-10(14)6-13-12-5-4-11(20)8-16(12)22-18(13)19/h4-5,7-9,22H,6H2,1-3H3
InChIKeyHOZCKGPAGNLCOD-UHFFFAOYSA-N
MW435.16 g/mol
LogP5.93
Rot. Bonds1

About 3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole

3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole (PubChem CID 66834574) has the molecular formula C19H17Br2NO and a molecular weight of 435.16 g/mol. Its IUPAC name is 3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole.

Molecular Properties

Compound Name3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole
PubChem CID66834574
Molecular FormulaC19H17Br2NO
Molecular Weight435.16 g/mol
Exact Mass432.97
IUPAC Name3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole
SMILESCOc1cc2c(cc1Br)Cc1c([nH]c3cc(Br)ccc13)C2(C)C
InChIInChI=1S/C19H17Br2NO/c1-19(2)14-9-17(23-3)15(21)7-10(14)6-13-12-5-4-11(20)8-16(12)22-18(13)19/h4-5,7-9,22H,6H2,1-3H3
InChIKeyHOZCKGPAGNLCOD-UHFFFAOYSA-N
XLogP5.93
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.16
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole
CID 134375514
1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine
CID 148688233
3-bromo-8-methoxy-6,6-dimethyl-9-nitro-5H-benzo[b]carbazol-11-one
CID 66833910
1-(1-bromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazol-9-yl)ethanone
CID 66834859
2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole
CID 66834992
9-bromo-8-methoxy-6,6-dimethyl-3-(trifluoromethoxy)-5H-benzo[b]carbazol-11-one
CID 66835151
3-bromo-8-methoxy-5,6,6-trimethyl-9-(4-methylpiperazin-1-yl)sulfinyl-11H-benzo[b]carbazole
CID 139565016
3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 156904639
2,7-dibromo-10,10-dimethyl-9H-anthracene
CID 141458589
3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 166070496
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483
4-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]piperidine-1-carboxylic acid
CID 118658648

Frequently Asked Questions

What is the IUPAC name of 3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole?
The IUPAC name of 3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole (CID 66834574) is 3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole.
What is the SMILES notation for 3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole?
The canonical SMILES for 3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole is COc1cc2c(cc1Br)Cc1c([nH]c3cc(Br)ccc13)C2(C)C.
What is the InChIKey of 3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole?
The InChIKey is HOZCKGPAGNLCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2NO/c1-19(2)14-9-17(23-3)15(21)7-10(14)6-13-12-5-4-11(20)8-16(12)22-18(13)19/h4-5,7-9,22H,6H2,1-3H3.
What are the key properties of 3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole?
3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole has a molecular weight of 435.16 g/mol, XLogP of 5.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole is sourced from PubChem (CID 66834574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).