2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole

C36H24ClNS — CID 145430412

IUPAC2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole
SMILESClc1cccc(-c2ccc3sc4ccc(-c5ccc6c7ccccc7n(C7=CCCC=C7)c6c5)cc4c3c2)c1
InChIInChI=1S/C36H24ClNS/c37-27-8-6-7-23(19-27)24-14-17-35-31(20-24)32-21-25(15-18-36(32)39-35)26-13-16-30-29-11-4-5-12-33(29)38(34(30)22-26)28-9-2-1-3-10-28/h2,4-22H,1,3H2
InChIKeyUEUHZDMWSWNVEF-UHFFFAOYSA-N
MW538.12 g/mol
LogP11.34
Rot. Bonds3

About 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole

2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole (PubChem CID 145430412) has the molecular formula C36H24ClNS and a molecular weight of 538.12 g/mol. Its IUPAC name is 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole.

Molecular Properties

Compound Name2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole
PubChem CID145430412
Molecular FormulaC36H24ClNS
Molecular Weight538.12 g/mol
Exact Mass537.13
IUPAC Name2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole
SMILESClc1cccc(-c2ccc3sc4ccc(-c5ccc6c7ccccc7n(C7=CCCC=C7)c6c5)cc4c3c2)c1
InChIInChI=1S/C36H24ClNS/c37-27-8-6-7-23(19-27)24-14-17-35-31(20-24)32-21-25(15-18-36(32)39-35)26-13-16-30-29-11-4-5-12-33(29)38(34(30)22-26)28-9-2-1-3-10-28/h2,4-22H,1,3H2
InChIKeyUEUHZDMWSWNVEF-UHFFFAOYSA-N
XLogP11.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.12
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole 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

20-(3-bromophenyl)-16-cyclohexa-1,5-dien-1-yl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 126718367
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
9-cyclohexa-1,5-dien-1-yl-2-(10-phenanthren-2-ylanthracen-9-yl)carbazole
CID 89189458
9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170078785
2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene
CID 145430466
9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole
CID 166905213
9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole
CID 166690084
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole
CID 129111753
9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole
CID 90372125
2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole
CID 137493978

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole?
The IUPAC name of 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole (CID 145430412) is 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole.
What is the SMILES notation for 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole?
The canonical SMILES for 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole is Clc1cccc(-c2ccc3sc4ccc(-c5ccc6c7ccccc7n(C7=CCCC=C7)c6c5)cc4c3c2)c1.
What is the InChIKey of 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole?
The InChIKey is UEUHZDMWSWNVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24ClNS/c37-27-8-6-7-23(19-27)24-14-17-35-31(20-24)32-21-25(15-18-36(32)39-35)26-13-16-30-29-11-4-5-12-33(29)38(34(30)22-26)28-9-2-1-3-10-28/h2,4-22H,1,3H2.
What are the key properties of 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole?
2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole has a molecular weight of 538.12 g/mol, XLogP of 11.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole is sourced from PubChem (CID 145430412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).