3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine

C31H22N2 — CID 146355812

IUPAC3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine
SMILESNc1ncccc1-c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C31H22N2/c32-31-24(16-9-19-33-31)23-17-18-27-28(20-23)30(22-12-5-2-6-13-22)26-15-8-7-14-25(26)29(27)21-10-3-1-4-11-21/h1-20H,(H2,32,33)
InChIKeyXGIWPPZVKHNCFY-UHFFFAOYSA-N
MW422.53 g/mol
LogP7.97
Rot. Bonds3

About 3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine

3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine (PubChem CID 146355812) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine
PubChem CID146355812
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine
SMILESNc1ncccc1-c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C31H22N2/c32-31-24(16-9-19-33-31)23-17-18-27-28(20-23)30(22-12-5-2-6-13-22)26-15-8-7-14-25(26)29(27)21-10-3-1-4-11-21/h1-20H,(H2,32,33)
InChIKeyXGIWPPZVKHNCFY-UHFFFAOYSA-N
XLogP7.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(9,10-diphenylanthracen-2-yl)pyridin-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

Related Compounds

3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine
CID 90361636
2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642459
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660
6-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]benzo[f]quinoline
CID 58323749
2-[2,6-diphenyl-10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]pyrimidine
CID 88868953
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylpyridine
CID 90361507
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046

Frequently Asked Questions

What is the IUPAC name of 3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine?
The IUPAC name of 3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine (CID 146355812) is 3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine is Nc1ncccc1-c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine?
The InChIKey is XGIWPPZVKHNCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c32-31-24(16-9-19-33-31)23-17-18-27-28(20-23)30(22-12-5-2-6-13-22)26-15-8-7-14-25(26)29(27)21-10-3-1-4-11-21/h1-20H,(H2,32,33).
What are the key properties of 3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine?
3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine has a molecular weight of 422.53 g/mol, XLogP of 7.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine is sourced from PubChem (CID 146355812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).