[6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid

C33H27BO3 — CID 144782148

IUPAC[6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid
SMILESCc1ccc(-c2ccccc2)cc1-c1ccccc1[C@@H](C)c1cccc2c1oc1c(B(O)O)cccc12
InChIInChI=1S/C33H27BO3/c1-21-18-19-24(23-10-4-3-5-11-23)20-30(21)27-13-7-6-12-25(27)22(2)26-14-8-15-28-29-16-9-17-31(34(35)36)33(29)37-32(26)28/h3-20,22,35-36H,1-2H3/t22-/m1/s1
InChIKeyZPXIHZNDNXWVSQ-JOCHJYFZSA-N
MW482.39 g/mol
LogP7.06
Rot. Bonds5

About [6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid

[6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid (PubChem CID 144782148) has the molecular formula C33H27BO3 and a molecular weight of 482.39 g/mol. Its IUPAC name is [6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid.

Molecular Properties

Compound Name[6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid
PubChem CID144782148
Molecular FormulaC33H27BO3
Molecular Weight482.39 g/mol
Exact Mass482.21
IUPAC Name[6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid
SMILESCc1ccc(-c2ccccc2)cc1-c1ccccc1[C@@H](C)c1cccc2c1oc1c(B(O)O)cccc12
InChIInChI=1S/C33H27BO3/c1-21-18-19-24(23-10-4-3-5-11-23)20-30(21)27-13-7-6-12-25(27)22(2)26-14-8-15-28-29-16-9-17-31(34(35)36)33(29)37-32(26)28/h3-20,22,35-36H,1-2H3/t22-/m1/s1
InChIKeyZPXIHZNDNXWVSQ-JOCHJYFZSA-N
XLogP7.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.39
LogP ≤ 57.06
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

1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
3-[4-methyl-3-[2-(1-phenanthren-9-ylethyl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 167292993
[6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid
CID 123987348
[2-(3-phenylphenyl)phenyl]boronic acid
CID 23033858
[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid
CID 90125806
21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-ylboronic acid
CID 140963803
4-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran
CID 67964041
2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene
CID 144803354
(8-phenyldibenzofuran-1-yl)boronic acid
CID 123712024
methane;1-methyl-4-(4-methylphenyl)-2-(2-phenylphenyl)benzene
CID 144583638
[6-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-4-yl]-bis(2,4,6-trimethylphenyl)borane;toluene
CID 139105726
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184

Frequently Asked Questions

What is the IUPAC name of [6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid?
The IUPAC name of [6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid (CID 144782148) is [6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid.
What is the SMILES notation for [6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid?
The canonical SMILES for [6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid is Cc1ccc(-c2ccccc2)cc1-c1ccccc1[C@@H](C)c1cccc2c1oc1c(B(O)O)cccc12.
What is the InChIKey of [6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid?
The InChIKey is ZPXIHZNDNXWVSQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C33H27BO3/c1-21-18-19-24(23-10-4-3-5-11-23)20-30(21)27-13-7-6-12-25(27)22(2)26-14-8-15-28-29-16-9-17-31(34(35)36)33(29)37-32(26)28/h3-20,22,35-36H,1-2H3/t22-/m1/s1.
What are the key properties of [6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid?
[6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid has a molecular weight of 482.39 g/mol, XLogP of 7.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1R)-1-[2-(2-methyl-5-phenylphenyl)phenyl]ethyl]dibenzofuran-4-yl]boronic acid is sourced from PubChem (CID 144782148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).