N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine

C25H17BrN2 — CID 87440016

IUPACN-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine
SMILESBrc1c2ccccc2c(Nc2ncccc2-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H17BrN2/c26-23-19-11-4-6-13-21(19)24(22-14-7-5-12-20(22)23)28-25-18(15-8-16-27-25)17-9-2-1-3-10-17/h1-16H,(H,27,28)
InChIKeyJUYQDIBFLGNIPV-UHFFFAOYSA-N
MW425.33 g/mol
LogP7.56
Rot. Bonds3

About N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine

N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine (PubChem CID 87440016) has the molecular formula C25H17BrN2 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine
PubChem CID87440016
Molecular FormulaC25H17BrN2
Molecular Weight425.33 g/mol
Exact Mass424.06
IUPAC NameN-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine
SMILESBrc1c2ccccc2c(Nc2ncccc2-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H17BrN2/c26-23-19-11-4-6-13-21(19)24(22-14-7-5-12-20(22)23)28-25-18(15-8-16-27-25)17-9-2-1-3-10-17/h1-16H,(H,27,28)
InChIKeyJUYQDIBFLGNIPV-UHFFFAOYSA-N
XLogP7.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine?
The IUPAC name of N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine (CID 87440016) is N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine.
What is the SMILES notation for N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine?
The canonical SMILES for N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine is Brc1c2ccccc2c(Nc2ncccc2-c2ccccc2)c2ccccc12.
What is the InChIKey of N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine?
The InChIKey is JUYQDIBFLGNIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2/c26-23-19-11-4-6-13-21(19)24(22-14-7-5-12-20(22)23)28-25-18(15-8-16-27-25)17-9-2-1-3-10-17/h1-16H,(H,27,28).
What are the key properties of N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine?
N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine has a molecular weight of 425.33 g/mol, XLogP of 7.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-bromoanthracen-9-yl)-3-phenylpyridin-2-amine is sourced from PubChem (CID 87440016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).