N-(4-bromophenyl)-1-pyren-4-ylmethanimine

C23H14BrN — CID 86256173

IUPACN-(4-bromophenyl)-1-pyren-4-ylmethanimine
SMILESBrc1ccc(/N=C/c2cc3cccc4ccc5cccc2c5c43)cc1
InChIInChI=1S/C23H14BrN/c24-19-9-11-20(12-10-19)25-14-18-13-17-5-1-3-15-7-8-16-4-2-6-21(18)23(16)22(15)17/h1-14H/b25-14+
InChIKeyMVVWISQCQQPSLE-AFUMVMLFSA-N
MW384.28 g/mol
LogP7.10
Rot. Bonds2

About N-(4-bromophenyl)-1-pyren-4-ylmethanimine

N-(4-bromophenyl)-1-pyren-4-ylmethanimine (PubChem CID 86256173) has the molecular formula C23H14BrN and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-pyren-4-ylmethanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-pyren-4-ylmethanimine
PubChem CID86256173
Molecular FormulaC23H14BrN
Molecular Weight384.28 g/mol
Exact Mass383.03
IUPAC NameN-(4-bromophenyl)-1-pyren-4-ylmethanimine
SMILESBrc1ccc(/N=C/c2cc3cccc4ccc5cccc2c5c43)cc1
InChIInChI=1S/C23H14BrN/c24-19-9-11-20(12-10-19)25-14-18-13-17-5-1-3-15-7-8-16-4-2-6-21(18)23(16)22(15)17/h1-14H/b25-14+
InChIKeyMVVWISQCQQPSLE-AFUMVMLFSA-N
XLogP7.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.28
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-1-pyren-4-ylmethanimine 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

N-(pyren-4-ylmethylidene)hydroxylamine
CID 3722226
4-(pyren-1-ylmethylideneamino)benzoic acid
CID 102429268
4-bromopyrene
CID 3014036
N-phenyl-N-(pyren-4-ylmethylideneamino)aniline
CID 59963659
N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-1-ium-3-yl)methanimine
CID 135785211
4-[(E)-but-1-enyl]pyrene
CID 157335198
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
3-(phenyliminomethyl)phenanthren-4-ol
CID 136826594
N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine
CID 4580179
N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine
CID 2346219
1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126223338
N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine
CID 2404385

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-pyren-4-ylmethanimine?
The IUPAC name of N-(4-bromophenyl)-1-pyren-4-ylmethanimine (CID 86256173) is N-(4-bromophenyl)-1-pyren-4-ylmethanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-pyren-4-ylmethanimine?
The canonical SMILES for N-(4-bromophenyl)-1-pyren-4-ylmethanimine is Brc1ccc(/N=C/c2cc3cccc4ccc5cccc2c5c43)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-pyren-4-ylmethanimine?
The InChIKey is MVVWISQCQQPSLE-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H14BrN/c24-19-9-11-20(12-10-19)25-14-18-13-17-5-1-3-15-7-8-16-4-2-6-21(18)23(16)22(15)17/h1-14H/b25-14+.
What are the key properties of N-(4-bromophenyl)-1-pyren-4-ylmethanimine?
N-(4-bromophenyl)-1-pyren-4-ylmethanimine has a molecular weight of 384.28 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-pyren-4-ylmethanimine is sourced from PubChem (CID 86256173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).