9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

C36H30BNO2S — CID 90215010

IUPAC9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCC1(C)OB(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)c2)OC1(C)C
InChIInChI=1S/C36H30BNO2S/c1-35(2)36(3,4)40-37(39-35)25-11-9-10-23(20-25)24-16-18-32-29(21-24)27-12-5-7-14-31(27)38(32)26-17-19-34-30(22-26)28-13-6-8-15-33(28)41-34/h5-22H,1-4H3
InChIKeyQIKXQZKRRMKCPX-UHFFFAOYSA-N
MW551.52 g/mol
LogP9.12
Rot. Bonds3

About 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 90215010) has the molecular formula C36H30BNO2S and a molecular weight of 551.52 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
PubChem CID90215010
Molecular FormulaC36H30BNO2S
Molecular Weight551.52 g/mol
Exact Mass551.21
IUPAC Name9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCC1(C)OB(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)c2)OC1(C)C
InChIInChI=1S/C36H30BNO2S/c1-35(2)36(3,4)40-37(39-35)25-11-9-10-23(20-25)24-16-18-32-29(21-24)27-12-5-7-14-31(27)38(32)26-17-19-34-30(22-26)28-13-6-8-15-33(28)41-34/h5-22H,1-4H3
InChIKeyQIKXQZKRRMKCPX-UHFFFAOYSA-N
XLogP9.12
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.52
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-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

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 90215010) is 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is CC1(C)OB(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)c2)OC1(C)C.
What is the InChIKey of 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The InChIKey is QIKXQZKRRMKCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30BNO2S/c1-35(2)36(3,4)40-37(39-35)25-11-9-10-23(20-25)24-16-18-32-29(21-24)27-12-5-7-14-31(27)38(32)26-17-19-34-30(22-26)28-13-6-8-15-33(28)41-34/h5-22H,1-4H3.
What are the key properties of 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole has a molecular weight of 551.52 g/mol, XLogP of 9.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 90215010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).