2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine

C31H22N2O2S — CID 69485333

IUPAC2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine
SMILESc1ccc(COc2cncc(-c3cc4c(Oc5ccc(-c6ccccc6)cc5)cncc4s3)c2)cc1
InChIInChI=1S/C31H22N2O2S/c1-3-7-22(8-4-1)21-34-27-15-25(17-32-18-27)30-16-28-29(19-33-20-31(28)36-30)35-26-13-11-24(12-14-26)23-9-5-2-6-10-23/h1-20H,21H2
InChIKeyOJVLFQRXKSXZLH-UHFFFAOYSA-N
MW486.60 g/mol
LogP8.40
Rot. Bonds7

About 2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine

2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine (PubChem CID 69485333) has the molecular formula C31H22N2O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine
PubChem CID69485333
Molecular FormulaC31H22N2O2S
Molecular Weight486.60 g/mol
Exact Mass486.14
IUPAC Name2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine
SMILESc1ccc(COc2cncc(-c3cc4c(Oc5ccc(-c6ccccc6)cc5)cncc4s3)c2)cc1
InChIInChI=1S/C31H22N2O2S/c1-3-7-22(8-4-1)21-34-27-15-25(17-32-18-27)30-16-28-29(19-33-20-31(28)36-30)35-26-13-11-24(12-14-26)23-9-5-2-6-10-23/h1-20H,21H2
InChIKeyOJVLFQRXKSXZLH-UHFFFAOYSA-N
XLogP8.40
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid
CID 58622521
5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 116811767
5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
4-(2-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
CID 44580677
4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid
CID 11109843
5-phenylmethoxypyridin-3-amine
CID 22989735
3-bromo-5-phenylmethoxypyridine
CID 15389198
3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole
CID 18516278
2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene
CID 91251080
3-ethyl-5-(5-phenylmethoxy-3-pyridinyl)-1,2-oxazole
CID 71514247
3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine
CID 152537650
2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole
CID 18516213

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
The IUPAC name of 2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine (CID 69485333) is 2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine.
What is the SMILES notation for 2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
The canonical SMILES for 2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine is c1ccc(COc2cncc(-c3cc4c(Oc5ccc(-c6ccccc6)cc5)cncc4s3)c2)cc1.
What is the InChIKey of 2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
The InChIKey is OJVLFQRXKSXZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O2S/c1-3-7-22(8-4-1)21-34-27-15-25(17-32-18-27)30-16-28-29(19-33-20-31(28)36-30)35-26-13-11-24(12-14-26)23-9-5-2-6-10-23/h1-20H,21H2.
What are the key properties of 2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine?
2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine has a molecular weight of 486.60 g/mol, XLogP of 8.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxy-3-pyridinyl)-4-(4-phenylphenoxy)thieno[2,3-c]pyridine is sourced from PubChem (CID 69485333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).