5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde

C33H26N2OS — CID 139147045

IUPAC5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde
SMILESCCCCn1c2cc(-c3ccc(C=O)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C33H26N2OS/c1-2-3-18-34-31-19-22(33-17-14-24(21-36)37-33)12-15-27(31)28-16-13-23(20-32(28)34)35-29-10-6-4-8-25(29)26-9-5-7-11-30(26)35/h4-17,19-21H,2-3,18H2,1H3
InChIKeyJDZQXZRFKXMGOZ-UHFFFAOYSA-N
MW498.65 g/mol
LogP9.23
Rot. Bonds6

About 5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde

5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde (PubChem CID 139147045) has the molecular formula C33H26N2OS and a molecular weight of 498.65 g/mol. Its IUPAC name is 5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde
PubChem CID139147045
Molecular FormulaC33H26N2OS
Molecular Weight498.65 g/mol
Exact Mass498.18
IUPAC Name5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde
SMILESCCCCn1c2cc(-c3ccc(C=O)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C33H26N2OS/c1-2-3-18-34-31-19-22(33-17-14-24(21-36)37-33)12-15-27(31)28-16-13-23(20-32(28)34)35-29-10-6-4-8-25(29)26-9-5-7-11-30(26)35/h4-17,19-21H,2-3,18H2,1H3
InChIKeyJDZQXZRFKXMGOZ-UHFFFAOYSA-N
XLogP9.23
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(9-butyl-7-carbazol-9-ylcarbazol-2-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-(N-ethylcarbazol-3-yl)thiophene-2-carbaldehyde
CID 138756447
5-(9-Phenyl-9H-carbazol-3-yl)thiophene-2-carbaldehyde
CID 139165092
9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde
CID 146718046
(4-Ethenylphenyl)-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindol-6-yl]methanone
CID 59080062
3-[3,3,4,4,5,5-Hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole-6-carbaldehyde
CID 59080070
3-[2-(1,2-Dimethylindol-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methyl-1-benzothiophene-6-carbaldehyde
CID 139645999
5'-(2-(9-Ethyl-9h-carbazol-3-yl)-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinolin-6-yl)-[2,2'-bithiophene]-5-carbaldehyde
CID 134814089
5'-[4-[5-[4-(9h-Carbazol-9-yl)phenyl]thiophen-2-yl]-2,5-bis(2-ethylhexyl)-3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrol-1-yl]-[2,2'-bithiophene]-5-carbaldehyde
CID 134822618
5-(4-Octadecyl-4H-thieno[3,2-b]indol-2-yl)thiophene-2-carbaldehyde
CID 138454676
4-(9-Phenylcarbazol-3-yl)thiophene-2-carbaldehyde
CID 139165091
5-[9-butyl-7-(N-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]anilino)carbazol-2-yl]thiophene-2-carbaldehyde
CID 139256017
5-[5-[9-butyl-7-(N-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]anilino)carbazol-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 139256019

Frequently Asked Questions

What is the IUPAC name of 5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde (CID 139147045) is 5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde is CCCCn1c2cc(-c3ccc(C=O)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde?
The InChIKey is JDZQXZRFKXMGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2OS/c1-2-3-18-34-31-19-22(33-17-14-24(21-36)37-33)12-15-27(31)28-16-13-23(20-32(28)34)35-29-10-6-4-8-25(29)26-9-5-7-11-30(26)35/h4-17,19-21H,2-3,18H2,1H3.
What are the key properties of 5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde?
5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde has a molecular weight of 498.65 g/mol, XLogP of 9.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-butyl-7-carbazol-9-ylcarbazol-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 139147045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).