5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine

C45H30N2 — CID 88551889

IUPAC5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccccn6)nc5)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C45H30N2/c1-29-17-18-31-27-32(20-19-30(31)26-29)44-37-12-4-6-14-39(37)45(40-15-7-5-13-38(40)44)41-23-22-34(35-10-2-3-11-36(35)41)33-21-24-43(47-28-33)42-16-8-9-25-46-42/h2-28H,1H3
InChIKeyVDJANFHRIBGQRA-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.07
Rot. Bonds4

About 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine

5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine (PubChem CID 88551889) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
PubChem CID88551889
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccccn6)nc5)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C45H30N2/c1-29-17-18-31-27-32(20-19-30(31)26-29)44-37-12-4-6-14-39(37)45(40-15-7-5-13-38(40)44)41-23-22-34(35-10-2-3-11-36(35)41)33-21-24-43(47-28-33)42-16-8-9-25-46-42/h2-28H,1H3
InChIKeyVDJANFHRIBGQRA-UHFFFAOYSA-N
XLogP12.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine 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 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine?
The IUPAC name of 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine (CID 88551889) is 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine.
What is the SMILES notation for 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine?
The canonical SMILES for 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine is Cc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccccn6)nc5)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine?
The InChIKey is VDJANFHRIBGQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-29-17-18-31-27-32(20-19-30(31)26-29)44-37-12-4-6-14-39(37)45(40-15-7-5-13-38(40)44)41-23-22-34(35-10-2-3-11-36(35)41)33-21-24-43(47-28-33)42-16-8-9-25-46-42/h2-28H,1H3.
What are the key properties of 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine?
5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine has a molecular weight of 598.75 g/mol, XLogP of 12.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine is sourced from PubChem (CID 88551889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).