3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide

C26H23NO2S — CID 171967380

IUPAC3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
SMILESO=S1(=O)C2C=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CC1CCC2
InChIInChI=1S/C26H23NO2S/c28-30(29)21-6-5-7-22(30)17-19(16-21)18-12-14-20(15-13-18)27-25-10-3-1-8-23(25)24-9-2-4-11-26(24)27/h1-4,8-16,21-22H,5-7,17H2
InChIKeyAHJGUSSDDQJDQX-UHFFFAOYSA-N
MW413.54 g/mol
LogP5.91
Rot. Bonds2

About 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide

3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide (PubChem CID 171967380) has the molecular formula C26H23NO2S and a molecular weight of 413.54 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide.

Molecular Properties

Compound Name3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
PubChem CID171967380
Molecular FormulaC26H23NO2S
Molecular Weight413.54 g/mol
Exact Mass413.14
IUPAC Name3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
SMILESO=S1(=O)C2C=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CC1CCC2
InChIInChI=1S/C26H23NO2S/c28-30(29)21-6-5-7-22(30)17-19(16-21)18-12-14-20(15-13-18)27-25-10-3-1-8-23(25)24-9-2-4-11-26(24)27/h1-4,8-16,21-22H,5-7,17H2
InChIKeyAHJGUSSDDQJDQX-UHFFFAOYSA-N
XLogP5.91
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.54
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide 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

9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole
CID 171967830
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
2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide
CID 148909882
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole
CID 118534055
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078
9-[4-[5-(4-carbazol-9-ylphenyl)furan-2-yl]phenyl]carbazole
CID 20781596
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
The IUPAC name of 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide (CID 171967380) is 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide.
What is the SMILES notation for 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
The canonical SMILES for 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide is O=S1(=O)C2C=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CC1CCC2.
What is the InChIKey of 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
The InChIKey is AHJGUSSDDQJDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2S/c28-30(29)21-6-5-7-22(30)17-19(16-21)18-12-14-20(15-13-18)27-25-10-3-1-8-23(25)24-9-2-4-11-26(24)27/h1-4,8-16,21-22H,5-7,17H2.
What are the key properties of 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide has a molecular weight of 413.54 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylphenyl)-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide is sourced from PubChem (CID 171967380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).