2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine

C36H24N2 — CID 88908907

IUPAC2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccnc(-c5ccccc5)c4)c4ccccc34)ccn2)cc1
InChIInChI=1S/C36H24N2/c1-3-11-25(12-4-1)33-23-27(19-21-37-33)35-29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)28-20-22-38-34(24-28)26-13-5-2-6-14-26/h1-24H
InChIKeyYXIOZYNWVKNCBG-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.45
Rot. Bonds4

About 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine

2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine (PubChem CID 88908907) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine.

Molecular Properties

Compound Name2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine
PubChem CID88908907
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccnc(-c5ccccc5)c4)c4ccccc34)ccn2)cc1
InChIInChI=1S/C36H24N2/c1-3-11-25(12-4-1)33-23-27(19-21-37-33)35-29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)28-20-22-38-34(24-28)26-13-5-2-6-14-26/h1-24H
InChIKeyYXIOZYNWVKNCBG-UHFFFAOYSA-N
XLogP9.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.45
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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine?
The IUPAC name of 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine (CID 88908907) is 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine.
What is the SMILES notation for 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine?
The canonical SMILES for 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine is c1ccc(-c2cc(-c3c4ccccc4c(-c4ccnc(-c5ccccc5)c4)c4ccccc34)ccn2)cc1.
What is the InChIKey of 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine?
The InChIKey is YXIOZYNWVKNCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-3-11-25(12-4-1)33-23-27(19-21-37-33)35-29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)28-20-22-38-34(24-28)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine?
2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine has a molecular weight of 484.60 g/mol, XLogP of 9.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine is sourced from PubChem (CID 88908907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).