2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine

C36H25N — CID 141483257

IUPAC2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine
SMILESCc1cc(-c2ccccn2)cc(-c2c3ccccc3cc3cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C36H25N/c1-24-19-29(35-15-6-7-18-37-35)23-30(20-24)36-33-13-5-3-10-26(33)21-28-22-27(16-17-34(28)36)32-14-8-11-25-9-2-4-12-31(25)32/h2-23H,1H3
InChIKeyCOPTXNNJIBXSNX-UHFFFAOYSA-N
MW471.60 g/mol
LogP9.85
Rot. Bonds3

About 2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine

2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine (PubChem CID 141483257) has the molecular formula C36H25N and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine
PubChem CID141483257
Molecular FormulaC36H25N
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine
SMILESCc1cc(-c2ccccn2)cc(-c2c3ccccc3cc3cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C36H25N/c1-24-19-29(35-15-6-7-18-37-35)23-30(20-24)36-33-13-5-3-10-26(33)21-28-22-27(16-17-34(28)36)32-14-8-11-25-9-2-4-12-31(25)32/h2-23H,1H3
InChIKeyCOPTXNNJIBXSNX-UHFFFAOYSA-N
XLogP9.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 59.85
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-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene
CID 143896786
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-1-yl]phenyl]pyridine
CID 167412782
2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine
CID 176646872
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-2-ylpyrimidine
CID 130261239
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 90361806
2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 102088203
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]-5-methylpyridine
CID 153458455
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
3-[4-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]fluoranthene;2-[10-fluoranthen-3-yl-9-(4-naphthalen-1-ylphenyl)anthracen-2-yl]pyridine;2-methyl-10-phenanthren-1-yl-9-(4-phenanthren-9-ylphenyl)anthracene;3-[4-(10-naphthalen-2-yl-2,6-diphenylanthracen-9-yl)phenyl]fluoranthene;9-naphthalen-2-yl-2,6-diphenyl-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)-2,6-diphenylanthracene
CID 160841400

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine?
The IUPAC name of 2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine (CID 141483257) is 2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine.
What is the SMILES notation for 2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine?
The canonical SMILES for 2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine is Cc1cc(-c2ccccn2)cc(-c2c3ccccc3cc3cc(-c4cccc5ccccc45)ccc23)c1.
What is the InChIKey of 2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine?
The InChIKey is COPTXNNJIBXSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N/c1-24-19-29(35-15-6-7-18-37-35)23-30(20-24)36-33-13-5-3-10-26(33)21-28-22-27(16-17-34(28)36)32-14-8-11-25-9-2-4-12-31(25)32/h2-23H,1H3.
What are the key properties of 2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine?
2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine has a molecular weight of 471.60 g/mol, XLogP of 9.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine is sourced from PubChem (CID 141483257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).