5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde

C32H23NOS — CID 102155225

About 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde

5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde (PubChem CID 102155225) has the molecular formula C32H23NOS and a molecular weight of 469.61 g/mol. Its IUPAC name is 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde.

Molecular Properties

• Compound Name: 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde
• PubChem CID: 102155225
• Molecular Formula: C32H23NOS
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.15
• IUPAC Name: 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C=O)s5)ccc43)cc21
• InChI: InChI=1S/C32H23NOS/c1-32(2)27-9-5-3-7-23(27)24-14-12-21(18-28(24)32)33-29-10-6-4-8-25(29)26-17-20(11-15-30(26)33)31-16-13-22(19-34)35-31/h3-19H,1-2H3
• InChIKey: MHMAPDSLGUSQJL-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 22.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde?

The IUPAC name of 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde (CID 102155225) is 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde.

What is the SMILES notation for 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde?

The canonical SMILES for 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C=O)s5)ccc43)cc21.

What is the InChIKey of 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde?

The InChIKey is MHMAPDSLGUSQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NOS/c1-32(2)27-9-5-3-7-23(27)24-14-12-21(18-28(24)32)33-29-10-6-4-8-25(29)26-17-20(11-15-30(26)33)31-16-13-22(19-34)35-31/h3-19H,1-2H3.

What are the key properties of 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde?

5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde has a molecular weight of 469.61 g/mol, XLogP of 8.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 102155225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).