2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine

C15H17BClN3O2 — CID 171440348

IUPAC2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
SMILESCC1(C)OB(c2nc(Cl)nc(-c3ccccc3)n2)OC1(C)C
InChIInChI=1S/C15H17BClN3O2/c1-14(2)15(3,4)22-16(21-14)12-18-11(19-13(17)20-12)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyXMFQJGWPKZLGIA-UHFFFAOYSA-N
MW317.59 g/mol
LogP2.49
Rot. Bonds2

About 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine

2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine (PubChem CID 171440348) has the molecular formula C15H17BClN3O2 and a molecular weight of 317.59 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
PubChem CID171440348
Molecular FormulaC15H17BClN3O2
Molecular Weight317.59 g/mol
Exact Mass317.11
IUPAC Name2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
SMILESCC1(C)OB(c2nc(Cl)nc(-c3ccccc3)n2)OC1(C)C
InChIInChI=1S/C15H17BClN3O2/c1-14(2)15(3,4)22-16(21-14)12-18-11(19-13(17)20-12)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyXMFQJGWPKZLGIA-UHFFFAOYSA-N
XLogP2.49
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.59
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane
CID 157097958
2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 160563763
2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140829023
2-phenyl-4-(4-phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 139034816
4-[4-(4-cyanophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 142737596
2-phenyl-4-(4-phenylphenyl)-6-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 142748669
2-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 158198185
2-(2-tert-butylphenyl)-4-phenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 169296963
2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine
CID 159043907
2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 59188592
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 159359482
2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane
CID 160784748

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine (CID 171440348) is 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine is CC1(C)OB(c2nc(Cl)nc(-c3ccccc3)n2)OC1(C)C.
What is the InChIKey of 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?
The InChIKey is XMFQJGWPKZLGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BClN3O2/c1-14(2)15(3,4)22-16(21-14)12-18-11(19-13(17)20-12)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?
2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine has a molecular weight of 317.59 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 171440348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).