2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine

C50H38N2 — CID 122642498

IUPAC2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
SMILESCCc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(CC)n5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)n1
InChIInChI=1S/C50H38N2/c1-3-41-13-9-17-47(51-41)34-20-24-36(25-21-34)49-43-15-7-8-16-44(43)50(37-26-22-35(23-27-37)48-18-10-14-42(4-2)52-48)46-32-40(29-30-45(46)49)39-28-19-33-11-5-6-12-38(33)31-39/h5-32H,3-4H2,1-2H3
InChIKeyLPOFLYVZCMVXAD-UHFFFAOYSA-N
MW666.87 g/mol
LogP13.40
Rot. Bonds7

About 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine

2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine (PubChem CID 122642498) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
PubChem CID122642498
Molecular FormulaC50H38N2
Molecular Weight666.87 g/mol
Exact Mass666.30
IUPAC Name2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
SMILESCCc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(CC)n5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)n1
InChIInChI=1S/C50H38N2/c1-3-41-13-9-17-47(51-41)34-20-24-36(25-21-34)49-43-15-7-8-16-44(43)50(37-26-22-35(23-27-37)48-18-10-14-42(4-2)52-48)46-32-40(29-30-45(46)49)39-28-19-33-11-5-6-12-38(33)31-39/h5-32H,3-4H2,1-2H3
InChIKeyLPOFLYVZCMVXAD-UHFFFAOYSA-N
XLogP13.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine with MolForge

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Related Compounds

chlorocopper;2-ethyl-6-naphthalen-2-ylpyridine
CID 140599662
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine
CID 90361387
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine
CID 59722048
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine?
The IUPAC name of 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine (CID 122642498) is 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine is CCc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(CC)n5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)n1.
What is the InChIKey of 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine?
The InChIKey is LPOFLYVZCMVXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2/c1-3-41-13-9-17-47(51-41)34-20-24-36(25-21-34)49-43-15-7-8-16-44(43)50(37-26-22-35(23-27-37)48-18-10-14-42(4-2)52-48)46-32-40(29-30-45(46)49)39-28-19-33-11-5-6-12-38(33)31-39/h5-32H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine?
2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine has a molecular weight of 666.87 g/mol, XLogP of 13.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[4-[10-[4-(6-ethyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 122642498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).