3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine

C37H26N2 — CID 122642605

IUPAC3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESCc1cnccc1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccncc4)c3)c3ccccc23)cc1
InChIInChI=1S/C37H26N2/c1-25-24-39-22-19-31(25)27-13-15-28(16-14-27)36-32-9-2-4-11-34(32)37(35-12-5-3-10-33(35)36)30-8-6-7-29(23-30)26-17-20-38-21-18-26/h2-24H,1H3
InChIKeyPZQRGSQXRUQYLY-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.76
Rot. Bonds4

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

3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine (PubChem CID 122642605) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
PubChem CID122642605
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESCc1cnccc1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccncc4)c3)c3ccccc23)cc1
InChIInChI=1S/C37H26N2/c1-25-24-39-22-19-31(25)27-13-15-28(16-14-27)36-32-9-2-4-11-34(32)37(35-12-5-3-10-33(35)36)30-8-6-7-29(23-30)26-17-20-38-21-18-26/h2-24H,1H3
InChIKeyPZQRGSQXRUQYLY-UHFFFAOYSA-N
XLogP9.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.76
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-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 122642577
3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 157188872
2-methyl-6-[4-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine;3-methyl-4-[4-[10-(2-methyl-4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-4-[4-[10-(3-methyl-4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-4-[4-[10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 157383197
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554433
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146587201
ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 159010834
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine (CID 122642605) is 3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine is Cc1cnccc1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccncc4)c3)c3ccccc23)cc1.
What is the InChIKey of 3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The InChIKey is PZQRGSQXRUQYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-25-24-39-22-19-31(25)27-13-15-28(16-14-27)36-32-9-2-4-11-34(32)37(35-12-5-3-10-33(35)36)30-8-6-7-29(23-30)26-17-20-38-21-18-26/h2-24H,1H3.
What are the key properties of 3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 498.63 g/mol, XLogP of 9.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 122642605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).