5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine

C42H27NO — CID 88884905

IUPAC5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine
SMILESc1ccc(Cc2ccc(-c3ccc4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5ccccc5c4c3)nc2)cc1
InChIInChI=1S/C42H27NO/c1-2-8-27(9-3-1)22-28-14-20-40(43-26-28)31-16-19-35-34-18-15-29(23-37(34)32-10-4-5-11-33(32)38(35)25-31)30-17-21-42-39(24-30)36-12-6-7-13-41(36)44-42/h1-21,23-26H,22H2
InChIKeyPSHVUSWENYRJJA-UHFFFAOYSA-N
MW561.68 g/mol
LogP11.37
Rot. Bonds4

About 5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine

5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine (PubChem CID 88884905) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is 5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine.

Molecular Properties

Compound Name5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine
PubChem CID88884905
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC Name5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine
SMILESc1ccc(Cc2ccc(-c3ccc4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5ccccc5c4c3)nc2)cc1
InChIInChI=1S/C42H27NO/c1-2-8-27(9-3-1)22-28-14-20-40(43-26-28)31-16-19-35-34-18-15-29(23-37(34)32-10-4-5-11-33(32)38(35)25-31)30-17-21-42-39(24-30)36-12-6-7-13-41(36)44-42/h1-21,23-26H,22H2
InChIKeyPSHVUSWENYRJJA-UHFFFAOYSA-N
XLogP11.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine?
The IUPAC name of 5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine (CID 88884905) is 5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine.
What is the SMILES notation for 5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine?
The canonical SMILES for 5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine is c1ccc(Cc2ccc(-c3ccc4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5ccccc5c4c3)nc2)cc1.
What is the InChIKey of 5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine?
The InChIKey is PSHVUSWENYRJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-2-8-27(9-3-1)22-28-14-20-40(43-26-28)31-16-19-35-34-18-15-29(23-37(34)32-10-4-5-11-33(32)38(35)25-31)30-17-21-42-39(24-30)36-12-6-7-13-41(36)44-42/h1-21,23-26H,22H2.
What are the key properties of 5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine?
5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine has a molecular weight of 561.68 g/mol, XLogP of 11.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(7-dibenzofuran-2-yltriphenylen-2-yl)pyridine is sourced from PubChem (CID 88884905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).