4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine

C29H19N — CID 141277666

IUPAC4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine
SMILESc1ccc2c(-c3ccc(-c4ccncc4)c4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C29H19N/c1-3-9-24-21(7-1)19-22-8-2-4-10-25(22)29(24)28-14-13-23(20-15-17-30-18-16-20)26-11-5-6-12-27(26)28/h1-19H
InChIKeyKVRXOJKOTHCGNF-UHFFFAOYSA-N
MW381.48 g/mol
LogP7.88
Rot. Bonds2

About 4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine

4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine (PubChem CID 141277666) has the molecular formula C29H19N and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine.

Molecular Properties

Compound Name4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine
PubChem CID141277666
Molecular FormulaC29H19N
Molecular Weight381.48 g/mol
Exact Mass381.15
IUPAC Name4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine
SMILESc1ccc2c(-c3ccc(-c4ccncc4)c4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C29H19N/c1-3-9-24-21(7-1)19-22-8-2-4-10-25(22)29(24)28-14-13-23(20-15-17-30-18-16-20)26-11-5-6-12-27(26)28/h1-19H
InChIKeyKVRXOJKOTHCGNF-UHFFFAOYSA-N
XLogP7.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]pyridine
CID 71174823
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447
3-(4-anthracen-9-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 145221321
9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 140565979
4-(4-bromonaphthalen-1-yl)pyridine
CID 71248544
9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
CID 58321158
4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
CID 166685143
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 122642646
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88868967

Frequently Asked Questions

What is the IUPAC name of 4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine?
The IUPAC name of 4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine (CID 141277666) is 4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine.
What is the SMILES notation for 4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine?
The canonical SMILES for 4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine is c1ccc2c(-c3ccc(-c4ccncc4)c4ccccc34)c3ccccc3cc2c1.
What is the InChIKey of 4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine?
The InChIKey is KVRXOJKOTHCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N/c1-3-9-24-21(7-1)19-22-8-2-4-10-25(22)29(24)28-14-13-23(20-15-17-30-18-16-20)26-11-5-6-12-27(26)28/h1-19H.
What are the key properties of 4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine?
4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine has a molecular weight of 381.48 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine is sourced from PubChem (CID 141277666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).