9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole

C46H27N3OS — CID 89433816

IUPAC9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3ccnc(-c4cc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccn4)c3)cc12
InChIInChI=1S/C46H27N3OS/c1-4-10-41-33(7-1)34-8-2-5-11-42(34)49(41)32-15-17-44-37(27-32)36-23-28(13-16-43(36)50-44)30-19-21-47-39(25-30)40-26-31(20-22-48-40)29-14-18-46-38(24-29)35-9-3-6-12-45(35)51-46/h1-27H
InChIKeyXVXOKJQGBDYRFG-UHFFFAOYSA-N
MW669.81 g/mol
LogP12.84
Rot. Bonds4

About 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole

9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole (PubChem CID 89433816) has the molecular formula C46H27N3OS and a molecular weight of 669.81 g/mol. Its IUPAC name is 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole
PubChem CID89433816
Molecular FormulaC46H27N3OS
Molecular Weight669.81 g/mol
Exact Mass669.19
IUPAC Name9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3ccnc(-c4cc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccn4)c3)cc12
InChIInChI=1S/C46H27N3OS/c1-4-10-41-33(7-1)34-8-2-5-11-42(34)49(41)32-15-17-44-37(27-32)36-23-28(13-16-43(36)50-44)30-19-21-47-39(25-30)40-26-31(20-22-48-40)29-14-18-46-38(24-29)35-9-3-6-12-45(35)51-46/h1-27H
InChIKeyXVXOKJQGBDYRFG-UHFFFAOYSA-N
XLogP12.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.81
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole 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 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole (CID 89433816) is 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole is c1ccc2c(c1)sc1ccc(-c3ccnc(-c4cc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccn4)c3)cc12.
What is the InChIKey of 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole?
The InChIKey is XVXOKJQGBDYRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3OS/c1-4-10-41-33(7-1)34-8-2-5-11-42(34)49(41)32-15-17-44-37(27-32)36-23-28(13-16-43(36)50-44)30-19-21-47-39(25-30)40-26-31(20-22-48-40)29-14-18-46-38(24-29)35-9-3-6-12-45(35)51-46/h1-27H.
What are the key properties of 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole?
9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole has a molecular weight of 669.81 g/mol, XLogP of 12.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[2-(4-dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 89433816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).