[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid

C28H20BNO2 — CID 174339452

IUPAC[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccc3c4c5ccccc5ccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C28H20BNO2/c31-29(32)22-14-10-19(11-15-22)21-12-16-25-27(18-21)30(23-7-2-1-3-8-23)26-17-13-20-6-4-5-9-24(20)28(25)26/h1-18,31-32H
InChIKeyKJYJHCCCJQJKPB-UHFFFAOYSA-N
MW413.29 g/mol
LogP5.28
Rot. Bonds3

About [4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid

[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid (PubChem CID 174339452) has the molecular formula C28H20BNO2 and a molecular weight of 413.29 g/mol. Its IUPAC name is [4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid
PubChem CID174339452
Molecular FormulaC28H20BNO2
Molecular Weight413.29 g/mol
Exact Mass413.16
IUPAC Name[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccc3c4c5ccccc5ccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C28H20BNO2/c31-29(32)22-14-10-19(11-15-22)21-12-16-25-27(18-21)30(23-7-2-1-3-8-23)26-17-13-20-6-4-5-9-24(20)28(25)26/h1-18,31-32H
InChIKeyKJYJHCCCJQJKPB-UHFFFAOYSA-N
XLogP5.28
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.29
LogP ≤ 55.28
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

N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
CID 145362201
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
N-(4-benzo[c]carbazol-7-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[c]carbazol-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 159709089
7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[c]carbazole;7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 158285865
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 160886256
9-[3-(2-methylphenyl)phenyl]-7-phenylbenzo[c]carbazole
CID 90175676
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702

Frequently Asked Questions

What is the IUPAC name of [4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid?
The IUPAC name of [4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid (CID 174339452) is [4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid?
The canonical SMILES for [4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid is OB(O)c1ccc(-c2ccc3c4c5ccccc5ccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of [4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid?
The InChIKey is KJYJHCCCJQJKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BNO2/c31-29(32)22-14-10-19(11-15-22)21-12-16-25-27(18-21)30(23-7-2-1-3-8-23)26-17-13-20-6-4-5-9-24(20)28(25)26/h1-18,31-32H.
What are the key properties of [4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid?
[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid has a molecular weight of 413.29 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]boronic acid is sourced from PubChem (CID 174339452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).