1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole

C32H29BN2O2 — CID 151783314

IUPAC1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole
SMILESCC1(C)COB(c2cccc(-n3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2)OC1
InChIInChI=1S/C32H29BN2O2/c1-32(2)22-36-33(37-23-32)27-19-12-20-28(21-27)35-30(25-15-8-4-9-16-25)29(24-13-6-3-7-14-24)34-31(35)26-17-10-5-11-18-26/h3-21H,22-23H2,1-2H3
InChIKeyRVBOMAATJMPQGY-UHFFFAOYSA-N
MW484.41 g/mol
LogP6.64
Rot. Bonds5

About 1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole

1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole (PubChem CID 151783314) has the molecular formula C32H29BN2O2 and a molecular weight of 484.41 g/mol. Its IUPAC name is 1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole.

Molecular Properties

Compound Name1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole
PubChem CID151783314
Molecular FormulaC32H29BN2O2
Molecular Weight484.41 g/mol
Exact Mass484.23
IUPAC Name1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole
SMILESCC1(C)COB(c2cccc(-n3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2)OC1
InChIInChI=1S/C32H29BN2O2/c1-32(2)22-36-33(37-23-32)27-19-12-20-28(21-27)35-30(25-15-8-4-9-16-25)29(24-13-6-3-7-14-24)34-31(35)26-17-10-5-11-18-26/h3-21H,22-23H2,1-2H3
InChIKeyRVBOMAATJMPQGY-UHFFFAOYSA-N
XLogP6.64
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.41
LogP ≤ 56.64
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

2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole
CID 122207157
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole
CID 58827953
9-(4-phenylphenyl)-3,6-bis(1,4,5-triphenylimidazol-2-yl)carbazole
CID 141396920
3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole
CID 152842671
5-chloro-1-[[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]methyl]-2-phenylimidazole-4-carbaldehyde
CID 10927692
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole
CID 155174914
5-methyl-2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 171442523
3-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)thiophen-2-yl]pyridine
CID 22180774
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(1,4,5-triphenylimidazol-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]carbazole
CID 157404185

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole?
The IUPAC name of 1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole (CID 151783314) is 1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole.
What is the SMILES notation for 1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole?
The canonical SMILES for 1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole is CC1(C)COB(c2cccc(-n3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2)OC1.
What is the InChIKey of 1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole?
The InChIKey is RVBOMAATJMPQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29BN2O2/c1-32(2)22-36-33(37-23-32)27-19-12-20-28(21-27)35-30(25-15-8-4-9-16-25)29(24-13-6-3-7-14-24)34-31(35)26-17-10-5-11-18-26/h3-21H,22-23H2,1-2H3.
What are the key properties of 1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole?
1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole has a molecular weight of 484.41 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole is sourced from PubChem (CID 151783314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).