2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine

C37H32BNO2S — CID 144592139

IUPAC2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine
SMILESCC1(C)OB(c2ccc3c(c2)Cc2cc(-c4ccc5sc6ccccc6c5c4)ccc2N3c2ccccc2)OC1(C)C
InChIInChI=1S/C37H32BNO2S/c1-36(2)37(3,4)41-38(40-36)28-16-18-33-27(22-28)21-26-20-24(14-17-32(26)39(33)29-10-6-5-7-11-29)25-15-19-35-31(23-25)30-12-8-9-13-34(30)42-35/h5-20,22-23H,21H2,1-4H3
InChIKeyIFQQVGMWDCLYHC-UHFFFAOYSA-N
MW565.55 g/mol
LogP9.39
Rot. Bonds3

About 2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine

2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine (PubChem CID 144592139) has the molecular formula C37H32BNO2S and a molecular weight of 565.55 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine
PubChem CID144592139
Molecular FormulaC37H32BNO2S
Molecular Weight565.55 g/mol
Exact Mass565.22
IUPAC Name2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine
SMILESCC1(C)OB(c2ccc3c(c2)Cc2cc(-c4ccc5sc6ccccc6c5c4)ccc2N3c2ccccc2)OC1(C)C
InChIInChI=1S/C37H32BNO2S/c1-36(2)37(3,4)41-38(40-36)28-16-18-33-27(22-28)21-26-20-24(14-17-32(26)39(33)29-10-6-5-7-11-29)25-15-19-35-31(23-25)30-12-8-9-13-34(30)42-35/h5-20,22-23H,21H2,1-4H3
InChIKeyIFQQVGMWDCLYHC-UHFFFAOYSA-N
XLogP9.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.55
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(8-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-phenyl-3-[8-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]carbazole
CID 159896388
2-[3-(6-deuteriodibenzothiophen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171449545
2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one
CID 144622595
3-[3-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-phenylphenothiazine
CID 163838520
2-(3-dibenzothiophen-3-yl-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142567972
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 71003882
4-(4-dibenzothiophen-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153317108
10-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenothiazine
CID 149398395
N-dibenzothiophen-2-yl-N-phenyl-4-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-amine
CID 153498024
18-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14,21-dioxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 176586582
N-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine
CID 170899947
9,9-dimethyl-10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
CID 71007069

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine?
The IUPAC name of 2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine (CID 144592139) is 2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine?
The canonical SMILES for 2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine is CC1(C)OB(c2ccc3c(c2)Cc2cc(-c4ccc5sc6ccccc6c5c4)ccc2N3c2ccccc2)OC1(C)C.
What is the InChIKey of 2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine?
The InChIKey is IFQQVGMWDCLYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32BNO2S/c1-36(2)37(3,4)41-38(40-36)28-16-18-33-27(22-28)21-26-20-24(14-17-32(26)39(33)29-10-6-5-7-11-29)25-15-19-35-31(23-25)30-12-8-9-13-34(30)42-35/h5-20,22-23H,21H2,1-4H3.
What are the key properties of 2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine?
2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine has a molecular weight of 565.55 g/mol, XLogP of 9.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-10-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-acridine is sourced from PubChem (CID 144592139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).