2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole

C19H17Cl2NO — CID 66834992

IUPAC2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole
SMILESCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Cl)c(Cl)cc3c1C2
InChIInChI=1S/C19H17Cl2NO/c1-19(2)14-7-11(23-3)5-4-10(14)6-13-12-8-15(20)16(21)9-17(12)22-18(13)19/h4-5,7-9,22H,6H2,1-3H3
InChIKeyDMXWTRLSVYJZEA-UHFFFAOYSA-N
MW346.26 g/mol
LogP5.71
Rot. Bonds1

About 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole

2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole (PubChem CID 66834992) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole.

Molecular Properties

Compound Name2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole
PubChem CID66834992
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC Name2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole
SMILESCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Cl)c(Cl)cc3c1C2
InChIInChI=1S/C19H17Cl2NO/c1-19(2)14-7-11(23-3)5-4-10(14)6-13-12-8-15(20)16(21)9-17(12)22-18(13)19/h4-5,7-9,22H,6H2,1-3H3
InChIKeyDMXWTRLSVYJZEA-UHFFFAOYSA-N
XLogP5.71
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole?
The IUPAC name of 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole (CID 66834992) is 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole.
What is the SMILES notation for 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole?
The canonical SMILES for 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole is COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Cl)c(Cl)cc3c1C2.
What is the InChIKey of 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole?
The InChIKey is DMXWTRLSVYJZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c1-19(2)14-7-11(23-3)5-4-10(14)6-13-12-8-15(20)16(21)9-17(12)22-18(13)19/h4-5,7-9,22H,6H2,1-3H3.
What are the key properties of 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole?
2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole has a molecular weight of 346.26 g/mol, XLogP of 5.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole is sourced from PubChem (CID 66834992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).