11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole

C30H17ClNS+ — CID 123372263

IUPAC11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole
SMILESClc1ccc(-c2cccc3c2sc2c3ccc3c2c2ccccc2n3C2=CC=C[C+]=C2)cc1
InChIInChI=1S/C30H17ClNS/c31-20-15-13-19(14-16-20)22-10-6-11-23-24-17-18-27-28(30(24)33-29(22)23)25-9-4-5-12-26(25)32(27)21-7-2-1-3-8-21/h1-2,4-18H/q+1
InChIKeyYPSUXBATWBJDBK-UHFFFAOYSA-N
MW458.99 g/mol
LogP9.25
Rot. Bonds2

About 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole

11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 123372263) has the molecular formula C30H17ClNS+ and a molecular weight of 458.99 g/mol. Its IUPAC name is 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID123372263
Molecular FormulaC30H17ClNS+
Molecular Weight458.99 g/mol
Exact Mass458.08
IUPAC Name11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole
SMILESClc1ccc(-c2cccc3c2sc2c3ccc3c2c2ccccc2n3C2=CC=C[C+]=C2)cc1
InChIInChI=1S/C30H17ClNS/c31-20-15-13-19(14-16-20)22-10-6-11-23-24-17-18-27-28(30(24)33-29(22)23)25-9-4-5-12-26(25)32(27)21-7-2-1-3-8-21/h1-2,4-18H/q+1
InChIKeyYPSUXBATWBJDBK-UHFFFAOYSA-N
XLogP9.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole 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

11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzofuro[3,2-c]carbazole
CID 123386539
6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736477
5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 144782003
11-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 71235139
5-[2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 164962109
(Z)-but-2-ene;4-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 145021121
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
4-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454723
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
6,24-bis(4-carbazol-9-ylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736430
trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane
CID 140721182
11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole
CID 146541355

Frequently Asked Questions

What is the IUPAC name of 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole (CID 123372263) is 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole is Clc1ccc(-c2cccc3c2sc2c3ccc3c2c2ccccc2n3C2=CC=C[C+]=C2)cc1.
What is the InChIKey of 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is YPSUXBATWBJDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17ClNS/c31-20-15-13-19(14-16-20)22-10-6-11-23-24-17-18-27-28(30(24)33-29(22)23)25-9-4-5-12-26(25)32(27)21-7-2-1-3-8-21/h1-2,4-18H/q+1.
What are the key properties of 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole?
11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 458.99 g/mol, XLogP of 9.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-chlorophenyl)-5-(cyclohexatrienyl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 123372263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).