[4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid

C36H24BNO2 — CID 175054726

IUPAC[4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C36H24BNO2/c39-37(40)25-15-17-26(18-16-25)38-35-12-6-5-11-32(35)33-20-14-24(22-36(33)38)23-13-19-31-29-9-2-1-7-27(29)28-8-3-4-10-30(28)34(31)21-23/h1-22,39-40H
InChIKeyJRIKAKINONZRME-UHFFFAOYSA-N
MW513.41 g/mol
LogP7.59
Rot. Bonds3

About [4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid

[4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid (PubChem CID 175054726) has the molecular formula C36H24BNO2 and a molecular weight of 513.41 g/mol. Its IUPAC name is [4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid
PubChem CID175054726
Molecular FormulaC36H24BNO2
Molecular Weight513.41 g/mol
Exact Mass513.19
IUPAC Name[4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C36H24BNO2/c39-37(40)25-15-17-26(18-16-25)38-35-12-6-5-11-32(35)33-20-14-24(22-36(33)38)23-13-19-31-29-9-2-1-7-27(29)28-8-3-4-10-30(28)34(31)21-23/h1-22,39-40H
InChIKeyJRIKAKINONZRME-UHFFFAOYSA-N
XLogP7.59
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.41
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(6,9-diphenylcarbazol-2-yl)boronic acid
CID 86770794
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
[9-(3-phenylphenyl)carbazol-2-yl]boronic acid
CID 135743560
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018

Frequently Asked Questions

What is the IUPAC name of [4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid?
The IUPAC name of [4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid (CID 175054726) is [4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid?
The canonical SMILES for [4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid is OB(O)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1.
What is the InChIKey of [4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid?
The InChIKey is JRIKAKINONZRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BNO2/c39-37(40)25-15-17-26(18-16-25)38-35-12-6-5-11-32(35)33-20-14-24(22-36(33)38)23-13-19-31-29-9-2-1-7-27(29)28-8-3-4-10-30(28)34(31)21-23/h1-22,39-40H.
What are the key properties of [4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid?
[4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid has a molecular weight of 513.41 g/mol, XLogP of 7.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-triphenylen-2-ylcarbazol-9-yl)phenyl]boronic acid is sourced from PubChem (CID 175054726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).