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

C40H27N — CID 88552190

IUPAC2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C40H27N/c1-26-17-18-28-25-29(20-19-27(28)24-26)39-33-12-4-6-14-35(33)40(36-15-7-5-13-34(36)39)37-22-21-32(38-16-8-9-23-41-38)30-10-2-3-11-31(30)37/h2-25H,1H3
InChIKeyDVQYUNOKDJBWHQ-UHFFFAOYSA-N
MW521.66 g/mol
LogP11.00
Rot. Bonds3

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

2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine (PubChem CID 88552190) has the molecular formula C40H27N and a molecular weight of 521.66 g/mol. Its IUPAC name is 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
PubChem CID88552190
Molecular FormulaC40H27N
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC Name2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C40H27N/c1-26-17-18-28-25-29(20-19-27(28)24-26)39-33-12-4-6-14-35(33)40(36-15-7-5-13-34(36)39)37-22-21-32(38-16-8-9-23-41-38)30-10-2-3-11-31(30)37/h2-25H,1H3
InChIKeyDVQYUNOKDJBWHQ-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

5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88551889
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine
CID 88551893
2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine
CID 58876057
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191
2-[4-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
CID 88551743
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88552035
5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine
CID 88554780

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?
The IUPAC name of 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine (CID 88552190) is 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine.
What is the SMILES notation for 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?
The canonical SMILES for 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine is Cc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?
The InChIKey is DVQYUNOKDJBWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N/c1-26-17-18-28-25-29(20-19-27(28)24-26)39-33-12-4-6-14-35(33)40(36-15-7-5-13-34(36)39)37-22-21-32(38-16-8-9-23-41-38)30-10-2-3-11-31(30)37/h2-25H,1H3.
What are the key properties of 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?
2-[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 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine is sourced from PubChem (CID 88552190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).