N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine

C24H17N3 — CID 90105027

IUPACN-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccccn2)c2c3ccccc3cc3ccccc23)nc1
InChIInChI=1S/C24H17N3/c1-3-11-20-18(9-1)17-19-10-2-4-12-21(19)24(20)27(22-13-5-7-15-25-22)23-14-6-8-16-26-23/h1-17H
InChIKeyYJPVXJBRLLHYQU-UHFFFAOYSA-N
MW347.42 g/mol
LogP6.25
Rot. Bonds3

About N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine

N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine (PubChem CID 90105027) has the molecular formula C24H17N3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine
PubChem CID90105027
Molecular FormulaC24H17N3
Molecular Weight347.42 g/mol
Exact Mass347.14
IUPAC NameN-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(c2ccccn2)c2c3ccccc3cc3ccccc23)nc1
InChIInChI=1S/C24H17N3/c1-3-11-20-18(9-1)17-19-10-2-4-12-21(19)24(20)27(22-13-5-7-15-25-22)23-14-6-8-16-26-23/h1-17H
InChIKeyYJPVXJBRLLHYQU-UHFFFAOYSA-N
XLogP6.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine (CID 90105027) is N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine is c1ccc(N(c2ccccn2)c2c3ccccc3cc3ccccc23)nc1.
What is the InChIKey of N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is YJPVXJBRLLHYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3/c1-3-11-20-18(9-1)17-19-10-2-4-12-21(19)24(20)27(22-13-5-7-15-25-22)23-14-6-8-16-26-23/h1-17H.
What are the key properties of N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine?
N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 347.42 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 90105027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).