2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine

C41H28N2 — CID 58876057

IUPAC2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4cccc(-c5cccc(-c6ccccn6)n5)c4)c4ccccc34)ccc2c1
InChIInChI=1S/C41H28N2/c1-27-19-20-29-25-32(22-21-28(29)24-27)41-35-14-4-2-12-33(35)40(34-13-3-5-15-36(34)41)31-11-8-10-30(26-31)37-17-9-18-39(43-37)38-16-6-7-23-42-38/h2-26H,1H3
InChIKeyUOVMMDOHEUKZFG-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.91
Rot. Bonds4

About 2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine

2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine (PubChem CID 58876057) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine
PubChem CID58876057
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4cccc(-c5cccc(-c6ccccn6)n5)c4)c4ccccc34)ccc2c1
InChIInChI=1S/C41H28N2/c1-27-19-20-29-25-32(22-21-28(29)24-27)41-35-14-4-2-12-33(35)40(34-13-3-5-15-36(34)41)31-11-8-10-30(26-31)37-17-9-18-39(43-37)38-16-6-7-23-42-38/h2-26H,1H3
InChIKeyUOVMMDOHEUKZFG-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

2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552190
5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88551889
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine
CID 59722048
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine
CID 88554648
2-(5-methyl-2-pyridinyl)-5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554329
2-[3-[10-[6-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58876218
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 90361806
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine (CID 58876057) is 2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine is Cc1ccc2cc(-c3c4ccccc4c(-c4cccc(-c5cccc(-c6ccccn6)n5)c4)c4ccccc34)ccc2c1.
What is the InChIKey of 2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine?
The InChIKey is UOVMMDOHEUKZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-27-19-20-29-25-32(22-21-28(29)24-27)41-35-14-4-2-12-33(35)40(34-13-3-5-15-36(34)41)31-11-8-10-30(26-31)37-17-9-18-39(43-37)38-16-6-7-23-42-38/h2-26H,1H3.
What are the key properties of 2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine?
2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine 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-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 58876057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).