2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole

C60H36N2OS — CID 58511000

IUPAC2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5ccc6c7ccc(-c8ccccc8)cc7n(-c7ccc8sc9ccccc9c8c7)c6c5)cc4n(-c4ccc5oc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C60H36N2OS/c1-3-11-37(12-4-1)39-19-25-45-47-27-21-41(33-55(47)61(53(45)31-39)43-23-29-58-51(35-43)49-15-7-9-17-57(49)63-58)42-22-28-48-46-26-20-40(38-13-5-2-6-14-38)32-54(46)62(56(48)34-42)44-24-30-60-52(36-44)50-16-8-10-18-59(50)64-60/h1-36H
InChIKeyYXHHNOZGGZAZLR-UHFFFAOYSA-N
MW833.03 g/mol
LogP17.15
Rot. Bonds5

About 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole

2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole (PubChem CID 58511000) has the molecular formula C60H36N2OS and a molecular weight of 833.03 g/mol. Its IUPAC name is 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole.

Molecular Properties

Compound Name2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole
PubChem CID58511000
Molecular FormulaC60H36N2OS
Molecular Weight833.03 g/mol
Exact Mass832.25
IUPAC Name2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5ccc6c7ccc(-c8ccccc8)cc7n(-c7ccc8sc9ccccc9c8c7)c6c5)cc4n(-c4ccc5oc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C60H36N2OS/c1-3-11-37(12-4-1)39-19-25-45-47-27-21-41(33-55(47)61(53(45)31-39)43-23-29-58-51(35-43)49-15-7-9-17-57(49)63-58)42-22-28-48-46-26-20-40(38-13-5-2-6-14-38)32-54(46)62(56(48)34-42)44-24-30-60-52(36-44)50-16-8-10-18-59(50)64-60/h1-36H
InChIKeyYXHHNOZGGZAZLR-UHFFFAOYSA-N
XLogP17.15
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.03
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole 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 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole?
The IUPAC name of 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole (CID 58511000) is 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole.
What is the SMILES notation for 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole?
The canonical SMILES for 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole is c1ccc(-c2ccc3c4ccc(-c5ccc6c7ccc(-c8ccccc8)cc7n(-c7ccc8sc9ccccc9c8c7)c6c5)cc4n(-c4ccc5oc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole?
The InChIKey is YXHHNOZGGZAZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2OS/c1-3-11-37(12-4-1)39-19-25-45-47-27-21-41(33-55(47)61(53(45)31-39)43-23-29-58-51(35-43)49-15-7-9-17-57(49)63-58)42-22-28-48-46-26-20-40(38-13-5-2-6-14-38)32-54(46)62(56(48)34-42)44-24-30-60-52(36-44)50-16-8-10-18-59(50)64-60/h1-36H.
What are the key properties of 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole?
2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole has a molecular weight of 833.03 g/mol, XLogP of 17.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole is sourced from PubChem (CID 58511000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).