5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine

C41H28N2 — CID 88554780

IUPAC5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1-c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C41H28N2/c1-27-17-18-31(25-37(27)32-21-22-39(43-26-32)38-16-8-9-23-42-38)41-35-14-6-4-12-33(35)40(34-13-5-7-15-36(34)41)30-20-19-28-10-2-3-11-29(28)24-30/h2-26H,1H3
InChIKeyUUTMSIUPISMUSY-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.91
Rot. Bonds4

About 5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine

5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine (PubChem CID 88554780) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine
PubChem CID88554780
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1-c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C41H28N2/c1-27-17-18-31(25-37(27)32-21-22-39(43-26-32)38-16-8-9-23-42-38)41-35-14-6-4-12-33(35)40(34-13-5-7-15-36(34)41)30-20-19-28-10-2-3-11-29(28)24-30/h2-26H,1H3
InChIKeyUUTMSIUPISMUSY-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

5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88551889
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
2-(5-methyl-2-pyridinyl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554691
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
2-(5-methyl-2-pyridinyl)-5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554329
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552190
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
5-anthracen-1-yl-2-pyridin-2-ylpyridine
CID 58813785
2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine
CID 58876057
5-methyl-2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]pyridine
CID 134531244

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine?
The IUPAC name of 5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine (CID 88554780) is 5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine.
What is the SMILES notation for 5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine?
The canonical SMILES for 5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine is Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1-c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine?
The InChIKey is UUTMSIUPISMUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-27-17-18-31(25-37(27)32-21-22-39(43-26-32)38-16-8-9-23-42-38)41-35-14-6-4-12-33(35)40(34-13-5-7-15-36(34)41)30-20-19-28-10-2-3-11-29(28)24-30/h2-26H,1H3.
What are the key properties of 5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine?
5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-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 5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine is sourced from PubChem (CID 88554780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).