4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine

C48H34N2 — CID 122642523

IUPAC4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine
SMILESCc1ccncc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4cnccc4C)cc3)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C48H34N2/c1-31-24-26-49-29-45(31)34-14-18-36(19-15-34)47-41-11-5-6-12-42(41)48(37-20-16-35(17-21-37)46-30-50-27-25-32(46)2)44-28-38(22-23-43(44)47)40-13-7-9-33-8-3-4-10-39(33)40/h3-30H,1-2H3
InChIKeyLDIKXYKZVAXHMR-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.89
Rot. Bonds5

About 4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine

4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine (PubChem CID 122642523) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine
PubChem CID122642523
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine
SMILESCc1ccncc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4cnccc4C)cc3)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C48H34N2/c1-31-24-26-49-29-45(31)34-14-18-36(19-15-34)47-41-11-5-6-12-42(41)48(37-20-16-35(17-21-37)46-30-50-27-25-32(46)2)44-28-38(22-23-43(44)47)40-13-7-9-33-8-3-4-10-39(33)40/h3-30H,1-2H3
InChIKeyLDIKXYKZVAXHMR-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

2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
CID 59184100
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
10-(4-naphthalen-1-ylphenyl)-9-phenyl-2-(8-phenylnaphthalen-1-yl)anthracene
CID 123378764
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
3-[4-[2-cyclohexyl-10-[4-(4-methyl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-4-methylpyridine
CID 122642474
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]pyridine
CID 59194825
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
3-[8,13-bis(4-naphthalen-1-ylphenyl)benzo[a]tetracen-6-yl]pyridine
CID 89177965
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine?
The IUPAC name of 4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine (CID 122642523) is 4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine is Cc1ccncc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4cnccc4C)cc3)c3cc(-c4cccc5ccccc45)ccc23)cc1.
What is the InChIKey of 4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine?
The InChIKey is LDIKXYKZVAXHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-31-24-26-49-29-45(31)34-14-18-36(19-15-34)47-41-11-5-6-12-42(41)48(37-20-16-35(17-21-37)46-30-50-27-25-32(46)2)44-28-38(22-23-43(44)47)40-13-7-9-33-8-3-4-10-39(33)40/h3-30H,1-2H3.
What are the key properties of 4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine?
4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-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 4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 122642523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).