3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine

C48H34N2 — CID 122642404

IUPAC3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
SMILESCc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cncc(C)c5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)c1
InChIInChI=1S/C48H34N2/c1-31-23-41(29-49-27-31)34-11-16-36(17-12-34)47-43-9-5-6-10-44(43)48(37-18-13-35(14-19-37)42-24-32(2)28-50-30-42)46-26-40(21-22-45(46)47)39-20-15-33-7-3-4-8-38(33)25-39/h3-30H,1-2H3
InChIKeyYHNYJSGEWPOEGT-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.89
Rot. Bonds5

About 3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine

3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine (PubChem CID 122642404) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
PubChem CID122642404
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
SMILESCc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cncc(C)c5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)c1
InChIInChI=1S/C48H34N2/c1-31-23-41(29-49-27-31)34-11-16-36(17-12-34)47-43-9-5-6-10-44(43)48(37-18-13-35(14-19-37)42-24-32(2)28-50-30-42)46-26-40(21-22-45(46)47)39-20-15-33-7-3-4-8-38(33)25-39/h3-30H,1-2H3
InChIKeyYHNYJSGEWPOEGT-UHFFFAOYSA-N
XLogP12.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
2-methyl-5-[4-[10-[4-(6-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642449
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine
CID 149072104
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine?
The IUPAC name of 3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine (CID 122642404) is 3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine is Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cncc(C)c5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)c1.
What is the InChIKey of 3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine?
The InChIKey is YHNYJSGEWPOEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-31-23-41(29-49-27-31)34-11-16-36(17-12-34)47-43-9-5-6-10-44(43)48(37-18-13-35(14-19-37)42-24-32(2)28-50-30-42)46-26-40(21-22-45(46)47)39-20-15-33-7-3-4-8-38(33)25-39/h3-30H,1-2H3.
What are the key properties of 3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine?
3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine has a molecular weight of 638.81 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 122642404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).