2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol

C25H25NS2 — CID 164775635

IUPAC2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol
SMILESC=CCc1ccc(-n2c3ccc(CCS)cc3c3cc(CCS)ccc32)cc1
InChIInChI=1S/C25H25NS2/c1-2-3-18-4-8-21(9-5-18)26-24-10-6-19(12-14-27)16-22(24)23-17-20(13-15-28)7-11-25(23)26/h2,4-11,16-17,27-28H,1,3,12-15H2
InChIKeyAJZXMZCGJCZCCG-UHFFFAOYSA-N
MW403.62 g/mol
LogP6.46
Rot. Bonds7

About 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol

2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol (PubChem CID 164775635) has the molecular formula C25H25NS2 and a molecular weight of 403.62 g/mol. Its IUPAC name is 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol.

Molecular Properties

Compound Name2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol
PubChem CID164775635
Molecular FormulaC25H25NS2
Molecular Weight403.62 g/mol
Exact Mass403.14
IUPAC Name2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol
SMILESC=CCc1ccc(-n2c3ccc(CCS)cc3c3cc(CCS)ccc32)cc1
InChIInChI=1S/C25H25NS2/c1-2-3-18-4-8-21(9-5-18)26-24-10-6-19(12-14-27)16-22(24)23-17-20(13-15-28)7-11-25(23)26/h2,4-11,16-17,27-28H,1,3,12-15H2
InChIKeyAJZXMZCGJCZCCG-UHFFFAOYSA-N
XLogP6.46
TPSA4.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.62
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol 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

2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol
CID 165035604
9-phenyl-3-prop-2-enylcarbazole
CID 123281501
2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol
CID 134420356
ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole
CID 153373641
CID 174005636
CID 174005636
3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole
CID 144605165
9-(3-carbazol-9-yl-5-prop-2-enylphenyl)carbazole
CID 139517953
9-(4-methoxyphenyl)-3,6-dipropylcarbazole
CID 154963806
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620
prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 143599046
3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306773
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole
CID 59844968

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol?
The IUPAC name of 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol (CID 164775635) is 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol.
What is the SMILES notation for 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol?
The canonical SMILES for 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol is C=CCc1ccc(-n2c3ccc(CCS)cc3c3cc(CCS)ccc32)cc1.
What is the InChIKey of 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol?
The InChIKey is AJZXMZCGJCZCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NS2/c1-2-3-18-4-8-21(9-5-18)26-24-10-6-19(12-14-27)16-22(24)23-17-20(13-15-28)7-11-25(23)26/h2,4-11,16-17,27-28H,1,3,12-15H2.
What are the key properties of 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol?
2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol has a molecular weight of 403.62 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol is sourced from PubChem (CID 164775635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).