6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole

C24H24ClNO — CID 143174284

IUPAC6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole
SMILESCCn1c2ccc(Cl)cc2c2c(C)c(COCc3ccccc3)cc(C)c21
InChIInChI=1S/C24H24ClNO/c1-4-26-22-11-10-20(25)13-21(22)23-17(3)19(12-16(2)24(23)26)15-27-14-18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3
InChIKeyYELDMCAXCNNURT-UHFFFAOYSA-N
MW377.92 g/mol
LogP6.80
Rot. Bonds5

About 6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole

6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole (PubChem CID 143174284) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is 6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole.

Molecular Properties

Compound Name6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole
PubChem CID143174284
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole
SMILESCCn1c2ccc(Cl)cc2c2c(C)c(COCc3ccccc3)cc(C)c21
InChIInChI=1S/C24H24ClNO/c1-4-26-22-11-10-20(25)13-21(22)23-17(3)19(12-16(2)24(23)26)15-27-14-18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3
InChIKeyYELDMCAXCNNURT-UHFFFAOYSA-N
XLogP6.80
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole?
The IUPAC name of 6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole (CID 143174284) is 6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole.
What is the SMILES notation for 6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole?
The canonical SMILES for 6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole is CCn1c2ccc(Cl)cc2c2c(C)c(COCc3ccccc3)cc(C)c21.
What is the InChIKey of 6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole?
The InChIKey is YELDMCAXCNNURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO/c1-4-26-22-11-10-20(25)13-21(22)23-17(3)19(12-16(2)24(23)26)15-27-14-18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3.
What are the key properties of 6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole?
6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole has a molecular weight of 377.92 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-ethyl-1,4-dimethyl-3-(phenylmethoxymethyl)carbazole is sourced from PubChem (CID 143174284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).