2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine

C27H26BN3O2 — CID 175408173

IUPAC2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine
SMILESCC1(C)OB(c2ccccc2)OC1(C)Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H26BN3O2/c1-26(2)27(3,33-28(32-26)22-17-11-6-12-18-22)19-23-29-24(20-13-7-4-8-14-20)31-25(30-23)21-15-9-5-10-16-21/h4-18H,19H2,1-3H3
InChIKeyBJNOGEBVJXNUMW-UHFFFAOYSA-N
MW435.34 g/mol
LogP4.73
Rot. Bonds5

About 2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine

2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine (PubChem CID 175408173) has the molecular formula C27H26BN3O2 and a molecular weight of 435.34 g/mol. Its IUPAC name is 2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine
PubChem CID175408173
Molecular FormulaC27H26BN3O2
Molecular Weight435.34 g/mol
Exact Mass435.21
IUPAC Name2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine
SMILESCC1(C)OB(c2ccccc2)OC1(C)Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H26BN3O2/c1-26(2)27(3,33-28(32-26)22-17-11-6-12-18-22)19-23-29-24(20-13-7-4-8-14-20)31-25(30-23)21-15-9-5-10-16-21/h4-18H,19H2,1-3H3
InChIKeyBJNOGEBVJXNUMW-UHFFFAOYSA-N
XLogP4.73
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
5-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-2H-tetrazole
CID 175535385
2-phenyl-4-(3-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140815451
2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 59188592
2-methyl-4-phenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 176842902
2-phenanthren-9-yl-4-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140796996
2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 67462514
2-phenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
CID 164779820
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-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3,5-triazine;4,5,6-triphenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 158138915
4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane
CID 175605277
2,4-diphenyl-6-[3-[3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 140745947

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine (CID 175408173) is 2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine is CC1(C)OB(c2ccccc2)OC1(C)Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine?
The InChIKey is BJNOGEBVJXNUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BN3O2/c1-26(2)27(3,33-28(32-26)22-17-11-6-12-18-22)19-23-29-24(20-13-7-4-8-14-20)31-25(30-23)21-15-9-5-10-16-21/h4-18H,19H2,1-3H3.
What are the key properties of 2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine?
2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine has a molecular weight of 435.34 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,5-triazine is sourced from PubChem (CID 175408173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).