3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine

C29H20N2O — CID 129060963

IUPAC3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine
SMILESCOc1ccc(-c2c3ccccc3c(-c3cc4ccncc4cn3)c3ccccc23)cc1
InChIInChI=1S/C29H20N2O/c1-32-22-12-10-19(11-13-22)28-23-6-2-4-8-25(23)29(26-9-5-3-7-24(26)28)27-16-20-14-15-30-17-21(20)18-31-27/h2-18H,1H3
InChIKeyHWRODLJOYVYYJC-UHFFFAOYSA-N
MW412.49 g/mol
LogP7.28
Rot. Bonds3

About 3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine

3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine (PubChem CID 129060963) has the molecular formula C29H20N2O and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine.

Molecular Properties

Compound Name3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine
PubChem CID129060963
Molecular FormulaC29H20N2O
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Name3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine
SMILESCOc1ccc(-c2c3ccccc3c(-c3cc4ccncc4cn3)c3ccccc23)cc1
InChIInChI=1S/C29H20N2O/c1-32-22-12-10-19(11-13-22)28-23-6-2-4-8-25(23)29(26-9-5-3-7-24(26)28)27-16-20-14-15-30-17-21(20)18-31-27/h2-18H,1H3
InChIKeyHWRODLJOYVYYJC-UHFFFAOYSA-N
XLogP7.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 57.28
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 3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine?
The IUPAC name of 3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine (CID 129060963) is 3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine.
What is the SMILES notation for 3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine?
The canonical SMILES for 3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine is COc1ccc(-c2c3ccccc3c(-c3cc4ccncc4cn3)c3ccccc23)cc1.
What is the InChIKey of 3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine?
The InChIKey is HWRODLJOYVYYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c1-32-22-12-10-19(11-13-22)28-23-6-2-4-8-25(23)29(26-9-5-3-7-24(26)28)27-16-20-14-15-30-17-21(20)18-31-27/h2-18H,1H3.
What are the key properties of 3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine?
3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine has a molecular weight of 412.49 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(4-methoxyphenyl)anthracen-9-yl]-2,7-naphthyridine is sourced from PubChem (CID 129060963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).