5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde

C23H15NOS — CID 102137747

IUPAC5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)s1
InChIInChI=1S/C23H15NOS/c25-15-18-13-14-23(26-18)16-9-11-17(12-10-16)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-15H
InChIKeyAHDIABPZLYNXDU-UHFFFAOYSA-N
MW353.45 g/mol
LogP6.32
Rot. Bonds3

About 5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde

5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde (PubChem CID 102137747) has the molecular formula C23H15NOS and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde
PubChem CID102137747
Molecular FormulaC23H15NOS
Molecular Weight353.45 g/mol
Exact Mass353.09
IUPAC Name5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)s1
InChIInChI=1S/C23H15NOS/c25-15-18-13-14-23(26-18)16-9-11-17(12-10-16)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-15H
InChIKeyAHDIABPZLYNXDU-UHFFFAOYSA-N
XLogP6.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde
CID 102155225
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
2,5-bis(4-carbazol-9-ylphenyl)terephthalaldehyde
CID 164890506
5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 118026406
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 177093517
3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole
CID 161117587
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
5-(4-carbazol-9-ylphenyl)furan-2-carbaldehyde
CID 169332784

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde (CID 102137747) is 5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)s1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde?
The InChIKey is AHDIABPZLYNXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NOS/c25-15-18-13-14-23(26-18)16-9-11-17(12-10-16)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-15H.
What are the key properties of 5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde?
5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde has a molecular weight of 353.45 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 102137747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).