3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid

C46H34BBr2ClN6O2 — CID 158547732

IUPAC3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid
SMILESNc1ncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1Br.Nc1ncc(Cl)cc1Br.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C23H16BrN3.C18H14BNO2.C5H4BrClN2/c24-20-13-16(14-26-23(20)25)15-9-11-17(12-10-15)27-21-7-3-1-5-18(21)19-6-2-4-8-22(19)27;21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;6-4-1-3(7)2-9-5(4)8/h1-14H,(H2,25,26);1-12,21-22H;1-2H,(H2,8,9)
InChIKeyHPIHSKFHHSDDNG-UHFFFAOYSA-N
MW908.89 g/mol
LogP10.73
Rot. Bonds4

About 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid

3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid (PubChem CID 158547732) has the molecular formula C46H34BBr2ClN6O2 and a molecular weight of 908.89 g/mol. Its IUPAC name is 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid.

Molecular Properties

Compound Name3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid
PubChem CID158547732
Molecular FormulaC46H34BBr2ClN6O2
Molecular Weight908.89 g/mol
Exact Mass906.09
IUPAC Name3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid
SMILESNc1ncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1Br.Nc1ncc(Cl)cc1Br.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C23H16BrN3.C18H14BNO2.C5H4BrClN2/c24-20-13-16(14-26-23(20)25)15-9-11-17(12-10-15)27-21-7-3-1-5-18(21)19-6-2-4-8-22(19)27;21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;6-4-1-3(7)2-9-5(4)8/h1-14H,(H2,25,26);1-12,21-22H;1-2H,(H2,8,9)
InChIKeyHPIHSKFHHSDDNG-UHFFFAOYSA-N
XLogP10.73
TPSA128.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.89
LogP ≤ 510.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid 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

3-[6-[3-Bromo-5-[6-(3-phenylcarbazol-9-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-9-phenylcarbazole
CID 132029156
3-Bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine
CID 153466468
N-(4-bromophenyl)-N-(4-carbazol-9-ylphenyl)-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-pyridin-3-ylphenyl)aniline;methane;molecular hydrogen;pyridin-3-ylboronic acid
CID 158830241
6-[[2-(4-Bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;6-[[2-(2-chlorophenyl)-5-(4-pyridin-3-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyridin-3-ylboronic acid
CID 159466408
9-[3-(5-Bromo-3-pyridinyl)phenyl]carbazole;(3-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine
CID 159625851
6-[[2-(4-Bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;6-[[2-(2-chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine;phenylboronic acid
CID 159741419
9-(5-Bromo-2-pyridinyl)carbazole;(4-carbazol-9-ylphenyl)boronic acid;9-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
CID 160332085
[1-(Benzenesulfonyl)indol-3-yl]boronic acid;6-bromo-5-chloropyridin-2-amine;5-chloro-6-(1-phenylindol-3-yl)pyridin-2-amine;sulfur dioxide
CID 160514832
N-(4-bromophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline;pyridin-3-ylboronic acid
CID 161140340
1-Bromo-3,5-diphenylbenzene;2-chloro-4-(3,5-diphenylphenyl)pyrimidine;(3,5-diphenylphenyl)boronic acid;3-[9-[4-(3,5-diphenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;1,3,5-tribromobenzene
CID 161272827
Azanide;9-[4-(5-bromo-3-pyridinyl)phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid;3,5-dibromopyridine
CID 161752555

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid?
The IUPAC name of 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid (CID 158547732) is 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid.
What is the SMILES notation for 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid?
The canonical SMILES for 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid is Nc1ncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1Br.Nc1ncc(Cl)cc1Br.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid?
The InChIKey is HPIHSKFHHSDDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3.C18H14BNO2.C5H4BrClN2/c24-20-13-16(14-26-23(20)25)15-9-11-17(12-10-15)27-21-7-3-1-5-18(21)19-6-2-4-8-22(19)27;21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;6-4-1-3(7)2-9-5(4)8/h1-14H,(H2,25,26);1-12,21-22H;1-2H,(H2,8,9).
What are the key properties of 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid?
3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid has a molecular weight of 908.89 g/mol, XLogP of 10.73, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine;3-bromo-5-chloropyridin-2-amine;(4-carbazol-9-ylphenyl)boronic acid is sourced from PubChem (CID 158547732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).