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

C54H42BBrN6O2 — CID 157169777

IUPAC4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccn1.N#Cc1cc(Br)ccn1
InChIInChI=1S/C24H24BNO2.C24H15N3.C6H3BrN2/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26;25-16-19-14-18(12-13-26-19)17-6-5-7-20(15-17)27-23-10-3-1-8-21(23)22-9-2-4-11-24(22)27;7-5-1-2-9-6(3-5)4-8/h5-16H,1-4H3;1-15H;1-3H
InChIKeyANIDYNSTKZYPRV-UHFFFAOYSA-N
MW897.69 g/mol
LogP12.52
Rot. Bonds4

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

4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 157169777) has the molecular formula C54H42BBrN6O2 and a molecular weight of 897.69 g/mol. Its IUPAC name is 4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
PubChem CID157169777
Molecular FormulaC54H42BBrN6O2
Molecular Weight897.69 g/mol
Exact Mass896.26
IUPAC Name4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccn1.N#Cc1cc(Br)ccn1
InChIInChI=1S/C24H24BNO2.C24H15N3.C6H3BrN2/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26;25-16-19-14-18(12-13-26-19)17-6-5-7-20(15-17)27-23-10-3-1-8-21(23)22-9-2-4-11-24(22)27;7-5-1-2-9-6(3-5)4-8/h5-16H,1-4H3;1-15H;1-3H
InChIKeyANIDYNSTKZYPRV-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

9-[3-(5-Bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole
CID 59372072
9-[3-[5-[5-[3-(3,4-Dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole
CID 70641630
9-[3-(5-bromo-3-pyridinyl)-5-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]carbazole
CID 89232561
3,9-Diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]carbazole
CID 90062511
3,6-Diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole
CID 90062650
3-Phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole
CID 90062728
10-Phenyl-3-(3-pyridin-2-ylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
CID 90062729
4-[4-[7-[4-(2-Cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile
CID 118398162
5-[4-[7-[4-(5-Cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile
CID 118398164
2-[4-[7-[4-(4-Cyano-2-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-4-carbonitrile
CID 118398218
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

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The IUPAC name of 4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 157169777) is 4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.
What is the SMILES notation for 4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The canonical SMILES for 4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is CC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccn1.N#Cc1cc(Br)ccn1.
What is the InChIKey of 4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The InChIKey is ANIDYNSTKZYPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2.C24H15N3.C6H3BrN2/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26;25-16-19-14-18(12-13-26-19)17-6-5-7-20(15-17)27-23-10-3-1-8-21(23)22-9-2-4-11-24(22)27;7-5-1-2-9-6(3-5)4-8/h5-16H,1-4H3;1-15H;1-3H.
What are the key properties of 4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(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 4-bromopyridine-2-carbonitrile;4-(3-carbazol-9-ylphenyl)pyridine-2-carbonitrile;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 157169777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).