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

C47H33N — CID 88551743

IUPAC2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
SMILESCCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccccn6)cc5)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C47H33N/c1-2-31-18-19-35-30-36(25-24-34(35)29-31)46-40-13-5-7-15-42(40)47(43-16-8-6-14-41(43)46)44-27-26-37(38-11-3-4-12-39(38)44)32-20-22-33(23-21-32)45-17-9-10-28-48-45/h3-30H,2H2,1H3
InChIKeyKEFPLETYWVNHBT-UHFFFAOYSA-N
MW611.79 g/mol
LogP12.92
Rot. Bonds5

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

2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine (PubChem CID 88551743) has the molecular formula C47H33N and a molecular weight of 611.79 g/mol. Its IUPAC name is 2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
PubChem CID88551743
Molecular FormulaC47H33N
Molecular Weight611.79 g/mol
Exact Mass611.26
IUPAC Name2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
SMILESCCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccccn6)cc5)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C47H33N/c1-2-31-18-19-35-30-36(25-24-34(35)29-31)46-40-13-5-7-15-42(40)47(43-16-8-6-14-41(43)46)44-27-26-37(38-11-3-4-12-39(38)44)32-20-22-33(23-21-32)45-17-9-10-28-48-45/h3-30H,2H2,1H3
InChIKeyKEFPLETYWVNHBT-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

3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88552035
4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
CID 88552091
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552190
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88551889
2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88551965
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine
CID 160885929
2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine
CID 59582996
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine
CID 88551893

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine?
The IUPAC name of 2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine (CID 88551743) is 2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine?
The canonical SMILES for 2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine is CCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccccn6)cc5)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine?
The InChIKey is KEFPLETYWVNHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N/c1-2-31-18-19-35-30-36(25-24-34(35)29-31)46-40-13-5-7-15-42(40)47(43-16-8-6-14-41(43)46)44-27-26-37(38-11-3-4-12-39(38)44)32-20-22-33(23-21-32)45-17-9-10-28-48-45/h3-30H,2H2,1H3.
What are the key properties of 2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine?
2-[4-[4-[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 2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine is sourced from PubChem (CID 88551743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).