(9,9,10-trimethylacridin-2-yl)boronic acid

C16H18BNO2 — CID 161441175

IUPAC(9,9,10-trimethylacridin-2-yl)boronic acid
SMILESCN1c2ccccc2C(C)(C)c2cc(B(O)O)ccc21
InChIInChI=1S/C16H18BNO2/c1-16(2)12-6-4-5-7-14(12)18(3)15-9-8-11(17(19)20)10-13(15)16/h4-10,19-20H,1-3H3
InChIKeyCPLXICYHVFNBGK-UHFFFAOYSA-N
MW267.14 g/mol
LogP1.77
Rot. Bonds1

About (9,9,10-trimethylacridin-2-yl)boronic acid

(9,9,10-trimethylacridin-2-yl)boronic acid (PubChem CID 161441175) has the molecular formula C16H18BNO2 and a molecular weight of 267.14 g/mol. Its IUPAC name is (9,9,10-trimethylacridin-2-yl)boronic acid.

Molecular Properties

Compound Name(9,9,10-trimethylacridin-2-yl)boronic acid
PubChem CID161441175
Molecular FormulaC16H18BNO2
Molecular Weight267.14 g/mol
Exact Mass267.14
IUPAC Name(9,9,10-trimethylacridin-2-yl)boronic acid
SMILESCN1c2ccccc2C(C)(C)c2cc(B(O)O)ccc21
InChIInChI=1S/C16H18BNO2/c1-16(2)12-6-4-5-7-14(12)18(3)15-9-8-11(17(19)20)10-13(15)16/h4-10,19-20H,1-3H3
InChIKeyCPLXICYHVFNBGK-UHFFFAOYSA-N
XLogP1.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9,10-trimethylacridine
CID 610451
(5-borono-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl)boronic acid
CID 154593081
9,9,10-trimethyl-2-nitroacridine
CID 53253608
(7-borono-9,9-dimethylfluoren-2-yl)boronic acid
CID 24820467
(9,9-dimethylthioxanthen-2-yl)boronic acid
CID 163509290
10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine
CID 166909608
(7,9,9-trimethylfluoren-2-yl)boronic acid
CID 125469672
(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)boronic acid;5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;molecular hydrogen
CID 159147411
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
14,14,21-trimethyl-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146580601
[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
CID 59691054
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681

Frequently Asked Questions

What is the IUPAC name of (9,9,10-trimethylacridin-2-yl)boronic acid?
The IUPAC name of (9,9,10-trimethylacridin-2-yl)boronic acid (CID 161441175) is (9,9,10-trimethylacridin-2-yl)boronic acid.
What is the SMILES notation for (9,9,10-trimethylacridin-2-yl)boronic acid?
The canonical SMILES for (9,9,10-trimethylacridin-2-yl)boronic acid is CN1c2ccccc2C(C)(C)c2cc(B(O)O)ccc21.
What is the InChIKey of (9,9,10-trimethylacridin-2-yl)boronic acid?
The InChIKey is CPLXICYHVFNBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BNO2/c1-16(2)12-6-4-5-7-14(12)18(3)15-9-8-11(17(19)20)10-13(15)16/h4-10,19-20H,1-3H3.
What are the key properties of (9,9,10-trimethylacridin-2-yl)boronic acid?
(9,9,10-trimethylacridin-2-yl)boronic acid has a molecular weight of 267.14 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9,10-trimethylacridin-2-yl)boronic acid is sourced from PubChem (CID 161441175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).