2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde

C19H15NOS — CID 5131425

IUPAC2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde
SMILESCCc1ccc(-c2[nH]c3c(ccc4ccccc43)c2C=O)s1
InChIInChI=1S/C19H15NOS/c1-2-13-8-10-17(22-13)19-16(11-21)15-9-7-12-5-3-4-6-14(12)18(15)20-19/h3-11,20H,2H2,1H3
InChIKeyVNMBCNKOTZSCLD-UHFFFAOYSA-N
MW305.40 g/mol
LogP5.42
Rot. Bonds3

About 2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde

2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde (PubChem CID 5131425) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde
PubChem CID5131425
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC Name2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde
SMILESCCc1ccc(-c2[nH]c3c(ccc4ccccc43)c2C=O)s1
InChIInChI=1S/C19H15NOS/c1-2-13-8-10-17(22-13)19-16(11-21)15-9-7-12-5-3-4-6-14(12)18(15)20-19/h3-11,20H,2H2,1H3
InChIKeyVNMBCNKOTZSCLD-UHFFFAOYSA-N
XLogP5.42
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde
CID 5238228
7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3799575
2-(3,4-dimethylphenyl)-1H-benzo[g]indole-3-carbaldehyde
CID 3533035
7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3590182
2-(2,4-dimethylphenyl)-1H-benzo[g]indole-3-carbaldehyde
CID 3695838
2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
CID 82050108
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde
CID 123197725
2-phenyl-1H-pyrrolo[2,3-f]isoquinoline-3-carbaldehyde
CID 86640250
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,27.021,26]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25,28-tetradecaene
CID 175582575

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde (CID 5131425) is 2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde is CCc1ccc(-c2[nH]c3c(ccc4ccccc43)c2C=O)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde?
The InChIKey is VNMBCNKOTZSCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS/c1-2-13-8-10-17(22-13)19-16(11-21)15-9-7-12-5-3-4-6-14(12)18(15)20-19/h3-11,20H,2H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde?
2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde has a molecular weight of 305.40 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde is sourced from PubChem (CID 5131425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).