2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C48H52BBrN4O2 — CID 159175347

IUPAC2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESBrc1ccccn1.CC(C)Cn1c2ccccc2c2cc(-c3ccccn3)ccc21.CC(C)Cn1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C22H28BNO2.C21H20N2.C5H4BrN/c1-15(2)14-24-19-10-8-7-9-17(19)18-13-16(11-12-20(18)24)23-25-21(3,4)22(5,6)26-23;1-15(2)14-23-20-9-4-3-7-17(20)18-13-16(10-11-21(18)23)19-8-5-6-12-22-19;6-5-3-1-2-4-7-5/h7-13,15H,14H2,1-6H3;3-13,15H,14H2,1-2H3;1-4H
InChIKeyKMEXYKUFSCLCJR-UHFFFAOYSA-N
MW807.69 g/mol
LogP12.11
Rot. Bonds6

About 2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 159175347) has the molecular formula C48H52BBrN4O2 and a molecular weight of 807.69 g/mol. Its IUPAC name is 2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID159175347
Molecular FormulaC48H52BBrN4O2
Molecular Weight807.69 g/mol
Exact Mass806.34
IUPAC Name2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESBrc1ccccn1.CC(C)Cn1c2ccccc2c2cc(-c3ccccn3)ccc21.CC(C)Cn1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C22H28BNO2.C21H20N2.C5H4BrN/c1-15(2)14-24-19-10-8-7-9-17(19)18-13-16(11-12-20(18)24)23-25-21(3,4)22(5,6)26-23;1-15(2)14-23-20-9-4-3-7-17(20)18-13-16(10-11-21(18)23)19-8-5-6-12-22-19;6-5-3-1-2-4-7-5/h7-13,15H,14H2,1-6H3;3-13,15H,14H2,1-2H3;1-4H
InChIKeyKMEXYKUFSCLCJR-UHFFFAOYSA-N
XLogP12.11
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.69
LogP ≤ 512.11
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'}

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Related Compounds

9-(4-Fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole
CID 88863161
9-[(3R)-3,7-dimethyloctyl]-3-[2-[2-[4-[2-[9-[(3R)-3,7-dimethyloctyl]carbazol-3-yl]ethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]carbazole
CID 102443194
3,5-Bis(9-octyl-9H-carbazole-3-yl)pyridine
CID 122216627
7,9-Bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole
CID 139182591
iridium(3+);tris(9-(4-methylphenyl)-3-pyridin-2-yl-2H-carbazol-2-ide)
CID 139253791
1-methyl-5-[(E)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]indole
CID 154712134
1-methyl-5-[(E)-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-yl]indole
CID 154718668
9-Phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
8-Phenyl-5-[4-[[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 57816027
9-Phenyl-3-[2-[9-phenyl-6-(2-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-6-(2-pyridin-3-ylphenyl)carbazole
CID 57958324
9-Phenyl-3-[3-[9-phenyl-6-(2-pyridin-4-ylphenyl)carbazol-3-yl]phenyl]-6-(2-pyridin-4-ylphenyl)carbazole
CID 57958371
9-[2-[3-[3-[3-(2-Carbazol-9-yl-5-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]-4-pyridin-3-ylphenyl]carbazole
CID 58121747

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 159175347) is 2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is Brc1ccccn1.CC(C)Cn1c2ccccc2c2cc(-c3ccccn3)ccc21.CC(C)Cn1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.
What is the InChIKey of 2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is KMEXYKUFSCLCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BNO2.C21H20N2.C5H4BrN/c1-15(2)14-24-19-10-8-7-9-17(19)18-13-16(11-12-20(18)24)23-25-21(3,4)22(5,6)26-23;1-15(2)14-23-20-9-4-3-7-17(20)18-13-16(10-11-21(18)23)19-8-5-6-12-22-19;6-5-3-1-2-4-7-5/h7-13,15H,14H2,1-6H3;3-13,15H,14H2,1-2H3;1-4H.
What are the key properties of 2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 807.69 g/mol, XLogP of 12.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine;9-(2-methylpropyl)-3-pyridin-2-ylcarbazole;9-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 159175347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).