3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

C54H42BBrN6O2 — CID 158104274

IUPAC3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCC1(C)OB(c2ccccc2-n2c3ccccc3c3ccccc32)OC1(C)C.N#Cc1ncccc1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1ncccc1Br
InChIInChI=1S/C24H24BNO2.C24H15N3.C6H3BrN2/c1-23(2)24(3,4)28-25(27-23)19-13-7-10-16-22(19)26-20-14-8-5-11-17(20)18-12-6-9-15-21(18)26;25-16-21-17(11-7-15-26-21)18-8-1-4-12-22(18)27-23-13-5-2-9-19(23)20-10-3-6-14-24(20)27;7-5-2-1-3-9-6(5)4-8/h5-16H,1-4H3;1-15H;1-3H
InChIKeyFPQJORBYUZINPT-UHFFFAOYSA-N
MW897.69 g/mol
LogP12.52
Rot. Bonds4

About 3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 158104274) has the molecular formula C54H42BBrN6O2 and a molecular weight of 897.69 g/mol. Its IUPAC name is 3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
PubChem CID158104274
Molecular FormulaC54H42BBrN6O2
Molecular Weight897.69 g/mol
Exact Mass896.26
IUPAC Name3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCC1(C)OB(c2ccccc2-n2c3ccccc3c3ccccc32)OC1(C)C.N#Cc1ncccc1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1ncccc1Br
InChIInChI=1S/C24H24BNO2.C24H15N3.C6H3BrN2/c1-23(2)24(3,4)28-25(27-23)19-13-7-10-16-22(19)26-20-14-8-5-11-17(20)18-12-6-9-15-21(18)26;25-16-21-17(11-7-15-26-21)18-8-1-4-12-22(18)27-23-13-5-2-9-19(23)20-10-3-6-14-24(20)27;7-5-2-1-3-9-6(5)4-8/h5-16H,1-4H3;1-15H;1-3H
InChIKeyFPQJORBYUZINPT-UHFFFAOYSA-N
XLogP12.52
TPSA101.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.69
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-Phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole
CID 90062728
9-Phenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbazole-3-carbonitrile
CID 123221871
1-Phenyl-5-[3-(1-phenylindol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indole
CID 123253784
5,11-Diphenyl-2-(4-pyridin-4-ylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole
CID 123305055
3,10-Diphenyl-7-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole
CID 123593756
3-[5-[3-Bromo-5-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-9-phenylcarbazole
CID 132029146
9-Phenyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbazole-2-carbonitrile
CID 140820317
ethane;9-[(Z)-(2-methylphenyl)-[(6E)-6-[1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]ethylidene]cyclohexa-2,4-dien-1-ylidene]methyl]-5-phenyl-8H-cyclohepta[b]indole
CID 142353470
3-[[6-(3-Bromophenyl)-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole
CID 142704917
4-(3-Bromophenyl)pyridine;ethane;7-phenyl-5,9-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrobenzo[c]carbazole
CID 144195951
5-Methyl-3,10-diphenyl-7-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-4,5-dihydropyrrolo[3,2-a]carbazole
CID 144569501
N-phenyl-N-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]pyridin-3-amine
CID 144830985

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The IUPAC name of 3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 158104274) is 3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The canonical SMILES for 3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is CC1(C)OB(c2ccccc2-n2c3ccccc3c3ccccc32)OC1(C)C.N#Cc1ncccc1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1ncccc1Br.
What is the InChIKey of 3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The InChIKey is FPQJORBYUZINPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2.C24H15N3.C6H3BrN2/c1-23(2)24(3,4)28-25(27-23)19-13-7-10-16-22(19)26-20-14-8-5-11-17(20)18-12-6-9-15-21(18)26;25-16-21-17(11-7-15-26-21)18-8-1-4-12-22(18)27-23-13-5-2-9-19(23)20-10-3-6-14-24(20)27;7-5-2-1-3-9-6(5)4-8/h5-16H,1-4H3;1-15H;1-3H.
What are the key properties of 3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole has a molecular weight of 897.69 g/mol, XLogP of 12.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine-2-carbonitrile;3-(2-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 158104274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).