3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole

C48H28N2OS — CID 58511030

IUPAC3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole
SMILESc1ccc2c(c1)oc1cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)ccc43)c12
InChIInChI=1S/C48H28N2OS/c1-5-15-37-31(11-1)35-27-29(23-25-39(35)49(37)41-17-9-20-44-47(41)33-13-3-7-19-43(33)51-44)30-24-26-40-36(28-30)32-12-2-6-16-38(32)50(40)42-18-10-22-46-48(42)34-14-4-8-21-45(34)52-46/h1-28H
InChIKeyVJIJIPQDZNOUIV-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.82
Rot. Bonds3

About 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole

3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole (PubChem CID 58511030) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole
PubChem CID58511030
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole
SMILESc1ccc2c(c1)oc1cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)ccc43)c12
InChIInChI=1S/C48H28N2OS/c1-5-15-37-31(11-1)35-27-29(23-25-39(35)49(37)41-17-9-20-44-47(41)33-13-3-7-19-43(33)51-44)30-24-26-40-36(28-30)32-12-2-6-16-38(32)50(40)42-18-10-22-46-48(42)34-14-4-8-21-45(34)52-46/h1-28H
InChIKeyVJIJIPQDZNOUIV-UHFFFAOYSA-N
XLogP13.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-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

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole?
The IUPAC name of 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole (CID 58511030) is 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole.
What is the SMILES notation for 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole?
The canonical SMILES for 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole is c1ccc2c(c1)oc1cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)ccc43)c12.
What is the InChIKey of 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole?
The InChIKey is VJIJIPQDZNOUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/c1-5-15-37-31(11-1)35-27-29(23-25-39(35)49(37)41-17-9-20-44-47(41)33-13-3-7-19-43(33)51-44)30-24-26-40-36(28-30)32-12-2-6-16-38(32)50(40)42-18-10-22-46-48(42)34-14-4-8-21-45(34)52-46/h1-28H.
What are the key properties of 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole?
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole has a molecular weight of 680.83 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-ylcarbazole is sourced from PubChem (CID 58511030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).