5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde

C25H27NOS — CID 139261968

IUPAC5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C=O)s1
InChIInChI=1S/C25H27NOS/c1-24(2,3)16-7-10-21-19(13-16)20-14-17(25(4,5)6)8-11-22(20)26(21)23-12-9-18(15-27)28-23/h7-15H,1-6H3
InChIKeyWVAPYJUSKYIJEX-UHFFFAOYSA-N
MW389.56 g/mol
LogP7.25
Rot. Bonds2

About 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde

5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde (PubChem CID 139261968) has the molecular formula C25H27NOS and a molecular weight of 389.56 g/mol. Its IUPAC name is 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde
PubChem CID139261968
Molecular FormulaC25H27NOS
Molecular Weight389.56 g/mol
Exact Mass389.18
IUPAC Name5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C=O)s1
InChIInChI=1S/C25H27NOS/c1-24(2,3)16-7-10-21-19(13-16)20-14-17(25(4,5)6)8-11-22(20)26(21)23-12-9-18(15-27)28-23/h7-15H,1-6H3
InChIKeyWVAPYJUSKYIJEX-UHFFFAOYSA-N
XLogP7.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.56
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

[5-(2-Methylindol-1-yl)thiophen-2-yl]-piperidin-1-ylmethanone
CID 16025764
3-(9-ethyl-9H-carbazol-3-yl)-1-(2-thienyl)-2-propen-1-one
CID 6050996
CID 102360307
CID 102360307
2,3-dihydro-1H-indol-1-yl[5-(2-methyl-1H-indol-1-yl)-2-thienyl]methanone
CID 20940766
N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide
CID 20940796
5-(2-methyl-1H-indol-1-yl)-2-thiophenecarboxamide
CID 53015462
16-Thia-1-azapentacyclo[10.6.1.02,7.08,19.013,17]nonadeca-2,4,6,8(19),9,11,13(17),14-octaen-18-one
CID 102339719
4-(3,6-Di-tert-butyl-9H-carbazol-9-yl)benzaldehyde
CID 15469210
3,6-Ditert-butyl-9-(5-thiophen-2-ylthiophen-2-yl)carbazole
CID 57379517
5-(N-ethylcarbazol-3-yl)thiophene-2-carbaldehyde
CID 138756447
5-(9-Phenyl-9H-carbazol-3-yl)thiophene-2-carbaldehyde
CID 139165092
1-[5-[2-Methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophen-2-yl]ethanone
CID 59066218

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde (CID 139261968) is 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C=O)s1.
What is the InChIKey of 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde?
The InChIKey is WVAPYJUSKYIJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NOS/c1-24(2,3)16-7-10-21-19(13-16)20-14-17(25(4,5)6)8-11-22(20)26(21)23-12-9-18(15-27)28-23/h7-15H,1-6H3.
What are the key properties of 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde?
5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde has a molecular weight of 389.56 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-ditert-butylcarbazol-9-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 139261968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).