3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole

C48H27NOS3 — CID 141096356

IUPAC3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole
SMILESc1csc(-c2c(-c3csc4ccccc34)c(-c3cccc4oc5ccccc5c34)c(-c3cccc4sc5ccccc5c34)c3[nH]c4ccccc4c23)c1
InChIInChI=1S/C48H27NOS3/c1-5-18-34-28(13-1)45-47(39-24-11-25-51-39)44(33-26-52-37-21-7-3-12-27(33)37)43(31-16-9-20-36-41(31)29-14-2-6-19-35(29)50-36)46(48(45)49-34)32-17-10-23-40-42(32)30-15-4-8-22-38(30)53-40/h1-26,49H
InChIKeyPJHPYIWDJDEYEU-UHFFFAOYSA-N
MW729.95 g/mol
LogP15.53
Rot. Bonds4

About 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole

3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole (PubChem CID 141096356) has the molecular formula C48H27NOS3 and a molecular weight of 729.95 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole
PubChem CID141096356
Molecular FormulaC48H27NOS3
Molecular Weight729.95 g/mol
Exact Mass729.13
IUPAC Name3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole
SMILESc1csc(-c2c(-c3csc4ccccc34)c(-c3cccc4oc5ccccc5c34)c(-c3cccc4sc5ccccc5c34)c3[nH]c4ccccc4c23)c1
InChIInChI=1S/C48H27NOS3/c1-5-18-34-28(13-1)45-47(39-24-11-25-51-39)44(33-26-52-37-21-7-3-12-27(33)37)43(31-16-9-20-36-41(31)29-14-2-6-19-35(29)50-36)46(48(45)49-34)32-17-10-23-40-42(32)30-15-4-8-22-38(30)53-40/h1-26,49H
InChIKeyPJHPYIWDJDEYEU-UHFFFAOYSA-N
XLogP15.53
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 515.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-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

5-[2-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-yl-1H-indole
CID 9879628
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole
CID 139394506
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
9-(10-Anthracen-9-ylanthracen-9-yl)-11,11-dimethylphenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;9-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;9-[10-(4-octylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;19-[10-(10-phenanthren-3-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-[10-(10-phenanthro[1,2-b][1]benzothiol-9-ylanthracen-9-yl)anthracen-9-yl]-9-phenylcarbazole
CID 157847024
6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;2-chlorobutan-2-ylbenzene;ethane;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
CID 158294978
6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;2-chlorobutan-2-ylbenzene;ethane;2-methylbutan-2-ylbenzene;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
CID 158419777
6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;methanol;tris(2-methylbutan-2-ylbenzene);(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
CID 158591590
6-butan-2-yl-1-benzofuran;5-butan-2-yl-1-benzothiophene;4-butan-2-yl-9H-carbazole;2-chlorobutan-2-ylbenzene;ethane;methane;2-methylbutan-2-ylbenzene;2-methyl-2-phenylbutanenitrile;(1,1,1-trifluoro-2-methylbutan-2-yl)benzene
CID 159192118

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole?
The IUPAC name of 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole (CID 141096356) is 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole is c1csc(-c2c(-c3csc4ccccc34)c(-c3cccc4oc5ccccc5c34)c(-c3cccc4sc5ccccc5c34)c3[nH]c4ccccc4c23)c1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole?
The InChIKey is PJHPYIWDJDEYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27NOS3/c1-5-18-34-28(13-1)45-47(39-24-11-25-51-39)44(33-26-52-37-21-7-3-12-27(33)37)43(31-16-9-20-36-41(31)29-14-2-6-19-35(29)50-36)46(48(45)49-34)32-17-10-23-40-42(32)30-15-4-8-22-38(30)53-40/h1-26,49H.
What are the key properties of 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole?
3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole has a molecular weight of 729.95 g/mol, XLogP of 15.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-2-dibenzofuran-1-yl-1-dibenzothiophen-1-yl-4-thiophen-2-yl-9H-carbazole is sourced from PubChem (CID 141096356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).