9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole

C25H29NO2S — CID 169016937

IUPAC9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole
SMILESCOCCOCCn1c2ccc(C)cc2c2cc(-c3sc(C)c(C)c3C)ccc21
InChIInChI=1S/C25H29NO2S/c1-16-6-8-23-21(14-16)22-15-20(25-18(3)17(2)19(4)29-25)7-9-24(22)26(23)10-11-28-13-12-27-5/h6-9,14-15H,10-13H2,1-5H3
InChIKeyFDNXWHRXHXYWMY-UHFFFAOYSA-N
MW407.58 g/mol
LogP6.42
Rot. Bonds7

About 9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole

9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole (PubChem CID 169016937) has the molecular formula C25H29NO2S and a molecular weight of 407.58 g/mol. Its IUPAC name is 9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole.

Molecular Properties

Compound Name9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole
PubChem CID169016937
Molecular FormulaC25H29NO2S
Molecular Weight407.58 g/mol
Exact Mass407.19
IUPAC Name9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole
SMILESCOCCOCCn1c2ccc(C)cc2c2cc(-c3sc(C)c(C)c3C)ccc21
InChIInChI=1S/C25H29NO2S/c1-16-6-8-23-21(14-16)22-15-20(25-18(3)17(2)19(4)29-25)7-9-24(22)26(23)10-11-28-13-12-27-5/h6-9,14-15H,10-13H2,1-5H3
InChIKeyFDNXWHRXHXYWMY-UHFFFAOYSA-N
XLogP6.42
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-9-[2-(2-methoxyethoxy)ethyl]-6-methylcarbazole
CID 169016934
2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene
CID 169014038
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]propanamide
CID 5073898
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 3623281
5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde
CID 138454577
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]cyclopentanecarboxamide
CID 43937645
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 4099388
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanylbutanamide
CID 41086225
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide
CID 41019322
2-(2,4-dimethylphenyl)-N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]acetamide
CID 42524685

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole?
The IUPAC name of 9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole (CID 169016937) is 9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole.
What is the SMILES notation for 9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole?
The canonical SMILES for 9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole is COCCOCCn1c2ccc(C)cc2c2cc(-c3sc(C)c(C)c3C)ccc21.
What is the InChIKey of 9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole?
The InChIKey is FDNXWHRXHXYWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2S/c1-16-6-8-23-21(14-16)22-15-20(25-18(3)17(2)19(4)29-25)7-9-24(22)26(23)10-11-28-13-12-27-5/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of 9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole?
9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole has a molecular weight of 407.58 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(3,4,5-trimethylthiophen-2-yl)carbazole is sourced from PubChem (CID 169016937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).