4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole

C24H15N3S — CID 175252486

IUPAC4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5nsnc45)ccc32)cc1
InChIInChI=1S/C24H15N3S/c1-2-7-17(8-3-1)27-22-12-5-4-9-19(22)20-15-16(13-14-23(20)27)18-10-6-11-21-24(18)26-28-25-21/h1-15H
InChIKeyVASQQXNBEXNVTB-UHFFFAOYSA-N
MW377.47 g/mol
LogP6.46
Rot. Bonds2

About 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole

4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole (PubChem CID 175252486) has the molecular formula C24H15N3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole
PubChem CID175252486
Molecular FormulaC24H15N3S
Molecular Weight377.47 g/mol
Exact Mass377.10
IUPAC Name4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5nsnc45)ccc32)cc1
InChIInChI=1S/C24H15N3S/c1-2-7-17(8-3-1)27-22-12-5-4-9-19(22)20-15-16(13-14-23(20)27)18-10-6-11-21-24(18)26-28-25-21/h1-15H
InChIKeyVASQQXNBEXNVTB-UHFFFAOYSA-N
XLogP6.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole 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

3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373
3-(9-phenylcarbazol-3-yl)-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434517
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-[10-(4,5-diphenylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333594
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole?
The IUPAC name of 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole (CID 175252486) is 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5nsnc45)ccc32)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole?
The InChIKey is VASQQXNBEXNVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3S/c1-2-7-17(8-3-1)27-22-12-5-4-9-19(22)20-15-16(13-14-23(20)27)18-10-6-11-21-24(18)26-28-25-21/h1-15H.
What are the key properties of 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole?
4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole has a molecular weight of 377.47 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 175252486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).