9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

C52H42BBr3N4O2 — CID 157131577

IUPAC9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESBrc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc1.Brc1ccc(Br)nc1.CC1(C)OB(c2ccc(-n3c4ccccc4c4ccccc43)cc2)OC1(C)C
InChIInChI=1S/C24H24BNO2.C23H15BrN2.C5H3Br2N/c1-23(2)24(3,4)28-25(27-23)17-13-15-18(16-14-17)26-21-11-7-5-9-19(21)20-10-6-8-12-22(20)26;24-17-11-14-21(25-15-17)16-9-12-18(13-10-16)26-22-7-3-1-5-19(22)20-6-2-4-8-23(20)26;6-4-1-2-5(7)8-3-4/h5-16H,1-4H3;1-15H;1-3H
InChIKeyAJDGXMBMEBVNMJ-UHFFFAOYSA-N
MW1005.46 g/mol
LogP14.30
Rot. Bonds4

About 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 157131577) has the molecular formula C52H42BBr3N4O2 and a molecular weight of 1005.46 g/mol. Its IUPAC name is 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
PubChem CID157131577
Molecular FormulaC52H42BBr3N4O2
Molecular Weight1005.46 g/mol
Exact Mass1002.10
IUPAC Name9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESBrc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc1.Brc1ccc(Br)nc1.CC1(C)OB(c2ccc(-n3c4ccccc4c4ccccc43)cc2)OC1(C)C
InChIInChI=1S/C24H24BNO2.C23H15BrN2.C5H3Br2N/c1-23(2)24(3,4)28-25(27-23)17-13-15-18(16-14-17)26-21-11-7-5-9-19(21)20-10-6-8-12-22(20)26;24-17-11-14-21(25-15-17)16-9-12-18(13-10-16)26-22-7-3-1-5-19(22)20-6-2-4-8-23(20)26;6-4-1-2-5(7)8-3-4/h5-16H,1-4H3;1-15H;1-3H
InChIKeyAJDGXMBMEBVNMJ-UHFFFAOYSA-N
XLogP14.30
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.46
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium(3+);tris(9-(4-methylphenyl)-3-pyridin-2-yl-2H-carbazol-2-ide)
CID 139253791
iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide)
CID 139253793
3,6-Dibromo-9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;iridium;2-phenylpyridine
CID 21042140
6,6'-bis(4-(9H-carbazol-9-yl)phenyl)-3,3'-bipyridine
CID 56943730
2-(3-Methyl-2-pyridinyl)-9-[4-[4-[2-(3-methyl-2-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole
CID 57997768
9-[2-[3-[3-[3-(2-Carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole
CID 58121747
3-Bromo-9-(2-ethylhexyl)-6-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;iridium;2-phenylpyridine
CID 58658189
9-[3-(5-Bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole
CID 59372072
9-[4-[5-[5-(4-Carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole
CID 59449561
9-[4-[5-[5-[4-(3,6-Dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole
CID 59449581
9-(4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)phenyl)-9H-carbazole
CID 66801433
9-[4-[5-[5-[4-(3,6-Dimethyl-1,9a-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole
CID 66806367

Frequently Asked Questions

What is the IUPAC name of 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 157131577) is 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc1.Brc1ccc(Br)nc1.CC1(C)OB(c2ccc(-n3c4ccccc4c4ccccc43)cc2)OC1(C)C.
What is the InChIKey of 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The InChIKey is AJDGXMBMEBVNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2.C23H15BrN2.C5H3Br2N/c1-23(2)24(3,4)28-25(27-23)17-13-15-18(16-14-17)26-21-11-7-5-9-19(21)20-10-6-8-12-22(20)26;24-17-11-14-21(25-15-17)16-9-12-18(13-10-16)26-22-7-3-1-5-19(22)20-6-2-4-8-23(20)26;6-4-1-2-5(7)8-3-4/h5-16H,1-4H3;1-15H;1-3H.
What are the key properties of 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole has a molecular weight of 1005.46 g/mol, XLogP of 14.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 157131577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).