12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole

C42H25NS3 — CID 170278897

IUPAC12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc2c3c(sc2c1)CCc1c-3n(-c2ccc3c(c2)sc2ccc(-c4ccc5sc6ccccc6c5c4)cc23)c2ccccc12
InChIInChI=1S/C42H25NS3/c1-4-10-34-27(7-1)30-17-20-39-41(31-9-3-6-12-36(31)45-39)42(30)43(34)26-15-16-29-33-22-25(14-19-38(33)46-40(29)23-26)24-13-18-37-32(21-24)28-8-2-5-11-35(28)44-37/h1-16,18-19,21-23H,17,20H2
InChIKeyCZQUZNSIXUPLBJ-UHFFFAOYSA-N
MW639.87 g/mol
LogP13.01
Rot. Bonds2

About 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole

12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole (PubChem CID 170278897) has the molecular formula C42H25NS3 and a molecular weight of 639.87 g/mol. Its IUPAC name is 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole
PubChem CID170278897
Molecular FormulaC42H25NS3
Molecular Weight639.87 g/mol
Exact Mass639.11
IUPAC Name12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc2c3c(sc2c1)CCc1c-3n(-c2ccc3c(c2)sc2ccc(-c4ccc5sc6ccccc6c5c4)cc23)c2ccccc12
InChIInChI=1S/C42H25NS3/c1-4-10-34-27(7-1)30-17-20-39-41(31-9-3-6-12-36(31)45-39)42(30)43(34)26-15-16-29-33-22-25(14-19-38(33)46-40(29)23-26)24-13-18-37-32(21-24)28-8-2-5-11-35(28)44-37/h1-16,18-19,21-23H,17,20H2
InChIKeyCZQUZNSIXUPLBJ-UHFFFAOYSA-N
XLogP13.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.87
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}

Analyze 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]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

9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
CID 144619443
CID 144619443
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029
8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one
CID 163850891
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole
CID 170277812
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
9-[8-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 159030774

Frequently Asked Questions

What is the IUPAC name of 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole (CID 170278897) is 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole is c1ccc2c3c(sc2c1)CCc1c-3n(-c2ccc3c(c2)sc2ccc(-c4ccc5sc6ccccc6c5c4)cc23)c2ccccc12.
What is the InChIKey of 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is CZQUZNSIXUPLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NS3/c1-4-10-34-27(7-1)30-17-20-39-41(31-9-3-6-12-36(31)45-39)42(30)43(34)26-15-16-29-33-22-25(14-19-38(33)46-40(29)23-26)24-13-18-37-32(21-24)28-8-2-5-11-35(28)44-37/h1-16,18-19,21-23H,17,20H2.
What are the key properties of 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole?
12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 639.87 g/mol, XLogP of 13.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)-6,7-dihydro-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 170278897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).