4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine

C47H33N — CID 88552091

IUPAC4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
SMILESCCc1ccc2cc(-c3c4ccccc4c(-c4cccc5c(-c6ccc(-c7ccncc7)cc6)cccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C47H33N/c1-2-31-17-18-36-30-37(24-23-35(36)29-31)46-42-9-3-5-11-44(42)47(45-12-6-4-10-43(45)46)41-16-8-14-39-38(13-7-15-40(39)41)34-21-19-32(20-22-34)33-25-27-48-28-26-33/h3-30H,2H2,1H3
InChIKeyUTTFFGWGDUHJJM-UHFFFAOYSA-N
MW611.79 g/mol
LogP12.92
Rot. Bonds5

About 4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine

4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine (PubChem CID 88552091) has the molecular formula C47H33N and a molecular weight of 611.79 g/mol. Its IUPAC name is 4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
PubChem CID88552091
Molecular FormulaC47H33N
Molecular Weight611.79 g/mol
Exact Mass611.26
IUPAC Name4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
SMILESCCc1ccc2cc(-c3c4ccccc4c(-c4cccc5c(-c6ccc(-c7ccncc7)cc6)cccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C47H33N/c1-2-31-17-18-36-30-37(24-23-35(36)29-31)46-42-9-3-5-11-44(42)47(45-12-6-4-10-43(45)46)41-16-8-14-39-38(13-7-15-40(39)41)34-21-19-32(20-22-34)33-25-27-48-28-26-33/h3-30H,2H2,1H3
InChIKeyUTTFFGWGDUHJJM-UHFFFAOYSA-N
XLogP12.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 512.92
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

2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
CID 88551743
2-[5-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-1-yl]-5-pyridin-4-ylpyridine
CID 88551946
3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88552035
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
CID 59523732
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine
CID 88551893
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554433
9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 157304390

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine?
The IUPAC name of 4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine (CID 88552091) is 4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine?
The canonical SMILES for 4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine is CCc1ccc2cc(-c3c4ccccc4c(-c4cccc5c(-c6ccc(-c7ccncc7)cc6)cccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine?
The InChIKey is UTTFFGWGDUHJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N/c1-2-31-17-18-36-30-37(24-23-35(36)29-31)46-42-9-3-5-11-44(42)47(45-12-6-4-10-43(45)46)41-16-8-14-39-38(13-7-15-40(39)41)34-21-19-32(20-22-34)33-25-27-48-28-26-33/h3-30H,2H2,1H3.
What are the key properties of 4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine?
4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine has a molecular weight of 611.79 g/mol, XLogP of 12.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine is sourced from PubChem (CID 88552091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).