3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole

C53H32N2OS — CID 71278025

IUPAC3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10sc%11ccccc%11c%10c9)ccc87)c6)cc5c4c3)c2)nc1
InChIInChI=1S/C53H32N2OS/c1-3-16-48-41(13-1)43-29-35(38-21-25-53-46(32-38)42-14-2-4-17-52(42)57-53)18-22-49(43)55(48)40-12-8-10-34(28-40)37-20-24-51-45(31-37)44-30-36(19-23-50(44)56-51)33-9-7-11-39(27-33)47-15-5-6-26-54-47/h1-32H
InChIKeyODYLSCRSRLYSNE-UHFFFAOYSA-N
MW744.92 g/mol
LogP15.11
Rot. Bonds5

About 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole

3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole (PubChem CID 71278025) has the molecular formula C53H32N2OS and a molecular weight of 744.92 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
PubChem CID71278025
Molecular FormulaC53H32N2OS
Molecular Weight744.92 g/mol
Exact Mass744.22
IUPAC Name3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10sc%11ccccc%11c%10c9)ccc87)c6)cc5c4c3)c2)nc1
InChIInChI=1S/C53H32N2OS/c1-3-16-48-41(13-1)43-29-35(38-21-25-53-46(32-38)42-14-2-4-17-52(42)57-53)18-22-49(43)55(48)40-12-8-10-34(28-40)37-20-24-51-45(31-37)44-30-36(19-23-50(44)56-51)33-9-7-11-39(27-33)47-15-5-6-26-54-47/h1-32H
InChIKeyODYLSCRSRLYSNE-UHFFFAOYSA-N
XLogP15.11
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.92
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]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

3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-9-yl]dibenzothiophen-2-yl]carbazole
CID 152935569
9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
CID 158258330
9-[8-(6-dibenzothiophen-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433743
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159055285
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]carbazole
CID 163864955
9-[3-dibenzofuran-2-yl-5-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]carbazole
CID 162190539

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole (CID 71278025) is 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10sc%11ccccc%11c%10c9)ccc87)c6)cc5c4c3)c2)nc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole?
The InChIKey is ODYLSCRSRLYSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2OS/c1-3-16-48-41(13-1)43-29-35(38-21-25-53-46(32-38)42-14-2-4-17-52(42)57-53)18-22-49(43)55(48)40-12-8-10-34(28-40)37-20-24-51-45(31-37)44-30-36(19-23-50(44)56-51)33-9-7-11-39(27-33)47-15-5-6-26-54-47/h1-32H.
What are the key properties of 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole?
3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole has a molecular weight of 744.92 g/mol, XLogP of 15.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole is sourced from PubChem (CID 71278025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).