2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine

C41H28N2 — CID 122642646

IUPAC2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
SMILESCc1ncccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccncc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C41H28N2/c1-27-31(15-8-24-43-27)28-16-18-30(19-17-28)40-35-11-4-6-13-37(35)41(38-14-7-5-12-36(38)40)39-21-20-32(29-22-25-42-26-23-29)33-9-2-3-10-34(33)39/h2-26H,1H3
InChIKeyVYAAXPOYWXJTPS-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.91
Rot. Bonds4

About 2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine

2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine (PubChem CID 122642646) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
PubChem CID122642646
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
SMILESCc1ncccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccncc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C41H28N2/c1-27-31(15-8-24-43-27)28-16-18-30(19-17-28)40-35-11-4-6-13-37(35)41(38-14-7-5-12-36(38)40)39-21-20-32(29-22-25-42-26-23-29)33-9-2-3-10-34(33)39/h2-26H,1H3
InChIKeyVYAAXPOYWXJTPS-UHFFFAOYSA-N
XLogP10.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 510.91
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

3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine
CID 90361636
2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642459
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
2-methyl-3-[4-[10-[4-(3-methyl-4-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine;2-methyl-3-[4-[10-[4-(5-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine;2-methyl-3-[4-[10-[4-(6-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine;2-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine;2-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine;2-methyl-5-[4-[10-(4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 161316240
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361392
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine
CID 141277666
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine
CID 88551893
4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
CID 88552091
2-[5-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-1-yl]-5-pyridin-4-ylpyridine
CID 88551946

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine (CID 122642646) is 2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine is Cc1ncccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccncc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
The InChIKey is VYAAXPOYWXJTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-27-31(15-8-24-43-27)28-16-18-30(19-17-28)40-35-11-4-6-13-37(35)41(38-14-7-5-12-36(38)40)39-21-20-32(29-22-25-42-26-23-29)33-9-2-3-10-34(33)39/h2-26H,1H3.
What are the key properties of 2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 548.69 g/mol, XLogP of 10.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 122642646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).