2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol

C24H20N2O — CID 15678643

IUPAC2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol
SMILESOC1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C24H20N2O/c27-23-20-11-5-7-17-8-6-12-21(22(17)20)24(23,15-18-9-1-3-13-25-18)16-19-10-2-4-14-26-19/h1-14,23,27H,15-16H2
InChIKeyYWOOQGDIOHNPJQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.40
Rot. Bonds4

About 2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol

2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol (PubChem CID 15678643) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol.

Molecular Properties

Compound Name2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol
PubChem CID15678643
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol
SMILESOC1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C24H20N2O/c27-23-20-11-5-7-17-8-6-12-21(22(17)20)24(23,15-18-9-1-3-13-25-18)16-19-10-2-4-14-26-19/h1-14,23,27H,15-16H2
InChIKeyYWOOQGDIOHNPJQ-UHFFFAOYSA-N
XLogP4.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol?
The IUPAC name of 2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol (CID 15678643) is 2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol.
What is the SMILES notation for 2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol?
The canonical SMILES for 2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol is OC1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol?
The InChIKey is YWOOQGDIOHNPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c27-23-20-11-5-7-17-8-6-12-21(22(17)20)24(23,15-18-9-1-3-13-25-18)16-19-10-2-4-14-26-19/h1-14,23,27H,15-16H2.
What are the key properties of 2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol?
2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol has a molecular weight of 352.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(pyridin-2-ylmethyl)-1H-acenaphthylen-1-ol is sourced from PubChem (CID 15678643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).