[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid

C35H25BN2O2 — CID 140790221

IUPAC[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid
SMILESOB(O)c1ccc2c3ccccc3n(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2c1
InChIInChI=1S/C35H25BN2O2/c39-36(40)28-18-19-31-30-16-7-8-17-34(30)38(35(31)23-28)29-15-9-14-26(20-29)33-22-27(24-10-3-1-4-11-24)21-32(37-33)25-12-5-2-6-13-25/h1-23,39-40H
InChIKeyNZHKWOGGZAKTPW-UHFFFAOYSA-N
MW516.41 g/mol
LogP6.86
Rot. Bonds5

About [9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid

[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid (PubChem CID 140790221) has the molecular formula C35H25BN2O2 and a molecular weight of 516.41 g/mol. Its IUPAC name is [9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid.

Molecular Properties

Compound Name[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid
PubChem CID140790221
Molecular FormulaC35H25BN2O2
Molecular Weight516.41 g/mol
Exact Mass516.20
IUPAC Name[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid
SMILESOB(O)c1ccc2c3ccccc3n(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2c1
InChIInChI=1S/C35H25BN2O2/c39-36(40)28-18-19-31-30-16-7-8-17-34(30)38(35(31)23-28)29-15-9-14-26(20-29)33-22-27(24-10-3-1-4-11-24)21-32(37-33)25-12-5-2-6-13-25/h1-23,39-40H
InChIKeyNZHKWOGGZAKTPW-UHFFFAOYSA-N
XLogP6.86
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.41
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[9-(3-phenylphenyl)carbazol-2-yl]boronic acid
CID 135743560
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380
5-(3-phenylphenyl)-7-[4-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155241176
9-[3-[6-(3-carbazol-9-ylphenyl)-2-chloropyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(3-phenylphenyl)boronic acid
CID 162001771
2-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;2-bromo-9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;2-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 161315478
2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135144091
3-bromo-9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 90177181
[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid
CID 140890322
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943750
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-methylphenyl)carbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 158195477

Frequently Asked Questions

What is the IUPAC name of [9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid?
The IUPAC name of [9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid (CID 140790221) is [9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid.
What is the SMILES notation for [9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid?
The canonical SMILES for [9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid is OB(O)c1ccc2c3ccccc3n(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2c1.
What is the InChIKey of [9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid?
The InChIKey is NZHKWOGGZAKTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25BN2O2/c39-36(40)28-18-19-31-30-16-7-8-17-34(30)38(35(31)23-28)29-15-9-14-26(20-29)33-22-27(24-10-3-1-4-11-24)21-32(37-33)25-12-5-2-6-13-25/h1-23,39-40H.
What are the key properties of [9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid?
[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid has a molecular weight of 516.41 g/mol, XLogP of 6.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid is sourced from PubChem (CID 140790221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).