2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine

C35H41NO4 — CID 640035

IUPAC2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine
SMILESCCCOc1ccc(OCCC)c(-c2cc(-c3ccccc3)nc(-c3cc(OCCC)ccc3OCCC)c2)c1
InChIInChI=1S/C35H41NO4/c1-5-18-37-28-14-16-34(39-20-7-3)30(24-28)27-22-32(26-12-10-9-11-13-26)36-33(23-27)31-25-29(38-19-6-2)15-17-35(31)40-21-8-4/h9-17,22-25H,5-8,18-21H2,1-4H3
InChIKeyRNFHBILYVMEYTK-UHFFFAOYSA-N
MW539.72 g/mol
LogP9.24
Rot. Bonds15

About 2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine

2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine (PubChem CID 640035) has the molecular formula C35H41NO4 and a molecular weight of 539.72 g/mol. Its IUPAC name is 2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine.

Molecular Properties

Compound Name2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine
PubChem CID640035
Molecular FormulaC35H41NO4
Molecular Weight539.72 g/mol
Exact Mass539.30
IUPAC Name2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine
SMILESCCCOc1ccc(OCCC)c(-c2cc(-c3ccccc3)nc(-c3cc(OCCC)ccc3OCCC)c2)c1
InChIInChI=1S/C35H41NO4/c1-5-18-37-28-14-16-34(39-20-7-3)30(24-28)27-22-32(26-12-10-9-11-13-26)36-33(23-27)31-25-29(38-19-6-2)15-17-35(31)40-21-8-4/h9-17,22-25H,5-8,18-21H2,1-4H3
InChIKeyRNFHBILYVMEYTK-UHFFFAOYSA-N
XLogP9.24
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine?
The IUPAC name of 2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine (CID 640035) is 2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine.
What is the SMILES notation for 2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine?
The canonical SMILES for 2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine is CCCOc1ccc(OCCC)c(-c2cc(-c3ccccc3)nc(-c3cc(OCCC)ccc3OCCC)c2)c1.
What is the InChIKey of 2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine?
The InChIKey is RNFHBILYVMEYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41NO4/c1-5-18-37-28-14-16-34(39-20-7-3)30(24-28)27-22-32(26-12-10-9-11-13-26)36-33(23-27)31-25-29(38-19-6-2)15-17-35(31)40-21-8-4/h9-17,22-25H,5-8,18-21H2,1-4H3.
What are the key properties of 2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine?
2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine has a molecular weight of 539.72 g/mol, XLogP of 9.24, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,5-dipropoxyphenyl)-6-phenylpyridine is sourced from PubChem (CID 640035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).