(6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene

C31H22BrN5 — CID 123863317

IUPAC(6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene
SMILESBrc1ccc2nc(/N=N/Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C31H22BrN5/c32-25-16-17-29-28(18-25)27(22-10-4-1-5-11-22)19-30(34-29)35-33-20-24-21-37(26-14-8-3-9-15-26)36-31(24)23-12-6-2-7-13-23/h1-19,21H,20H2/b35-33+
InChIKeySYQWVTQVCVZJTI-LAPDZXRHSA-N
MW544.46 g/mol
LogP8.80
Rot. Bonds6

About (6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene

(6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene (PubChem CID 123863317) has the molecular formula C31H22BrN5 and a molecular weight of 544.46 g/mol. Its IUPAC name is (6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene.

Molecular Properties

Compound Name(6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene
PubChem CID123863317
Molecular FormulaC31H22BrN5
Molecular Weight544.46 g/mol
Exact Mass543.11
IUPAC Name(6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene
SMILESBrc1ccc2nc(/N=N/Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C31H22BrN5/c32-25-16-17-29-28(18-25)27(22-10-4-1-5-11-22)19-30(34-29)35-33-20-24-21-37(26-14-8-3-9-15-26)36-31(24)23-12-6-2-7-13-23/h1-19,21H,20H2/b35-33+
InChIKeySYQWVTQVCVZJTI-LAPDZXRHSA-N
XLogP8.80
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.46
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene
CID 91897793
1,3,4-triphenylpyrazole
CID 555882
benzyl-[[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]methyl]azanium
CID 2423798
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17374702
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 31536512
[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate
CID 2322038
3-(4-bromophenyl)-1-phenylpyrazol-4-ol
CID 99938057
(Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 9014497
[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 4995785
8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline
CID 20852418
2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid
CID 20542687

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene?
The IUPAC name of (6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene (CID 123863317) is (6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene.
What is the SMILES notation for (6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene?
The canonical SMILES for (6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene is Brc1ccc2nc(/N=N/Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of (6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene?
The InChIKey is SYQWVTQVCVZJTI-LAPDZXRHSA-N. The full InChI is InChI=1S/C31H22BrN5/c32-25-16-17-29-28(18-25)27(22-10-4-1-5-11-22)19-30(34-29)35-33-20-24-21-37(26-14-8-3-9-15-26)36-31(24)23-12-6-2-7-13-23/h1-19,21H,20H2/b35-33+.
What are the key properties of (6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene?
(6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene has a molecular weight of 544.46 g/mol, XLogP of 8.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene is sourced from PubChem (CID 123863317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).