[3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane

C33H33BN2 — CID 140712995

IUPAC[3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2cccc(-c3nccn3-c3ccccc3)c2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C33H33BN2/c1-22-17-24(3)31(25(4)18-22)34(32-26(5)19-23(2)20-27(32)6)29-12-10-11-28(21-29)33-35-15-16-36(33)30-13-8-7-9-14-30/h7-21H,1-6H3
InChIKeyTUOPZJKRVOIZBT-UHFFFAOYSA-N
MW468.45 g/mol
LogP5.91
Rot. Bonds5

About [3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane

[3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 140712995) has the molecular formula C33H33BN2 and a molecular weight of 468.45 g/mol. Its IUPAC name is [3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Name[3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
PubChem CID140712995
Molecular FormulaC33H33BN2
Molecular Weight468.45 g/mol
Exact Mass468.27
IUPAC Name[3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2cccc(-c3nccn3-c3ccccc3)c2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C33H33BN2/c1-22-17-24(3)31(25(4)18-22)34(32-26(5)19-23(2)20-27(32)6)29-12-10-11-28(21-29)33-35-15-16-36(33)30-13-8-7-9-14-30/h7-21H,1-6H3
InChIKeyTUOPZJKRVOIZBT-UHFFFAOYSA-N
XLogP5.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505
[3-[1-[4-(ethoxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712823
1-phenyl-2-(3-phenylphenyl)imidazole
CID 157490154
3-(1-phenylimidazol-2-yl)phenol
CID 70654534
2-(3-bromophenyl)-1-phenylimidazole
CID 70654369
[3-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712954
bis(2,4,6-trimethylphenyl)-[3-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]borane
CID 140712688
1,2-bis(3,5-diphenylphenyl)imidazole
CID 90181054
2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol
CID 50971250
5-phenyl-10-[3-(1-phenylimidazol-2-yl)phenyl]-2-(1-phenylpyrrol-2-yl)phenazine
CID 155784986
N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline
CID 59348233
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720

Frequently Asked Questions

What is the IUPAC name of [3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of [3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane (CID 140712995) is [3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for [3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for [3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2cccc(-c3nccn3-c3ccccc3)c2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is TUOPZJKRVOIZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33BN2/c1-22-17-24(3)31(25(4)18-22)34(32-26(5)19-23(2)20-27(32)6)29-12-10-11-28(21-29)33-35-15-16-36(33)30-13-8-7-9-14-30/h7-21H,1-6H3.
What are the key properties of [3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?
[3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 468.45 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 140712995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).