3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine

C40H27N — CID 88552191

IUPAC3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccnc5)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C40H27N/c1-26-16-17-28-24-29(19-18-27(28)23-26)39-34-12-4-6-14-36(34)40(37-15-7-5-13-35(37)39)38-21-20-31(30-9-8-22-41-25-30)32-10-2-3-11-33(32)38/h2-25H,1H3
InChIKeyFARHWCNHBIBDEA-UHFFFAOYSA-N
MW521.66 g/mol
LogP11.00
Rot. Bonds3

About 3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine

3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine (PubChem CID 88552191) has the molecular formula C40H27N and a molecular weight of 521.66 g/mol. Its IUPAC name is 3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine.

Molecular Properties

Compound Name3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
PubChem CID88552191
Molecular FormulaC40H27N
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC Name3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccnc5)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C40H27N/c1-26-16-17-28-24-29(19-18-27(28)23-26)39-34-12-4-6-14-36(34)40(37-15-7-5-13-35(37)39)38-21-20-31(30-9-8-22-41-25-30)32-10-2-3-11-33(32)38/h2-25H,1H3
InChIKeyFARHWCNHBIBDEA-UHFFFAOYSA-N
XLogP11.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 511.00
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-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88551889
3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine
CID 88554456
3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine
CID 88554356
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine
CID 88551893
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552190
5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine
CID 88554768
ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 157325912
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
9-phenyl-10-[4-[6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 159018384
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342

Frequently Asked Questions

What is the IUPAC name of 3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?
The IUPAC name of 3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine (CID 88552191) is 3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine.
What is the SMILES notation for 3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?
The canonical SMILES for 3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine is Cc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccnc5)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?
The InChIKey is FARHWCNHBIBDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N/c1-26-16-17-28-24-29(19-18-27(28)23-26)39-34-12-4-6-14-36(34)40(37-15-7-5-13-35(37)39)38-21-20-31(30-9-8-22-41-25-30)32-10-2-3-11-33(32)38/h2-25H,1H3.
What are the key properties of 3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine has a molecular weight of 521.66 g/mol, XLogP of 11.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine is sourced from PubChem (CID 88552191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).