3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol

C26H21NOS — CID 66911392

IUPAC3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol
SMILESCc1cccc(-c2ccc(-c3csc4c3C(O)=C(c3ccccc3)CN4)cc2)c1
InChIInChI=1S/C26H21NOS/c1-17-6-5-9-21(14-17)18-10-12-20(13-11-18)23-16-29-26-24(23)25(28)22(15-27-26)19-7-3-2-4-8-19/h2-14,16,27-28H,15H2,1H3
InChIKeyIGFLWBBMIFRTPC-UHFFFAOYSA-N
MW395.53 g/mol
LogP7.24
Rot. Bonds3

About 3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol

3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol (PubChem CID 66911392) has the molecular formula C26H21NOS and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol
PubChem CID66911392
Molecular FormulaC26H21NOS
Molecular Weight395.53 g/mol
Exact Mass395.13
IUPAC Name3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol
SMILESCc1cccc(-c2ccc(-c3csc4c3C(O)=C(c3ccccc3)CN4)cc2)c1
InChIInChI=1S/C26H21NOS/c1-17-6-5-9-21(14-17)18-10-12-20(13-11-18)23-16-29-26-24(23)25(28)22(15-27-26)19-7-3-2-4-8-19/h2-14,16,27-28H,15H2,1H3
InChIKeyIGFLWBBMIFRTPC-UHFFFAOYSA-N
XLogP7.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772
ethane;1-methyl-3-phenylbenzene
CID 142040878
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658
methanamine;1-methyl-3-phenylbenzene
CID 145414985
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
ethene;1-methyl-3-phenylbenzene
CID 142622149

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
The IUPAC name of 3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol (CID 66911392) is 3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol.
What is the SMILES notation for 3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
The canonical SMILES for 3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol is Cc1cccc(-c2ccc(-c3csc4c3C(O)=C(c3ccccc3)CN4)cc2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
The InChIKey is IGFLWBBMIFRTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NOS/c1-17-6-5-9-21(14-17)18-10-12-20(13-11-18)23-16-29-26-24(23)25(28)22(15-27-26)19-7-3-2-4-8-19/h2-14,16,27-28H,15H2,1H3.
What are the key properties of 3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol has a molecular weight of 395.53 g/mol, XLogP of 7.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)phenyl]-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol is sourced from PubChem (CID 66911392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).