2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine

C27H29NS — CID 121382363

IUPAC2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine
SMILESCC(C)(C)c1ccc(-c2cc3c(-c4ccc(C(C)(C)C)cc4)nccc3s2)cc1
InChIInChI=1S/C27H29NS/c1-26(2,3)20-11-7-18(8-12-20)24-17-22-23(29-24)15-16-28-25(22)19-9-13-21(14-10-19)27(4,5)6/h7-17H,1-6H3
InChIKeyBYFZOWCFNOTRDX-UHFFFAOYSA-N
MW399.60 g/mol
LogP8.23
Rot. Bonds2

About 2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine

2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine (PubChem CID 121382363) has the molecular formula C27H29NS and a molecular weight of 399.60 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine
PubChem CID121382363
Molecular FormulaC27H29NS
Molecular Weight399.60 g/mol
Exact Mass399.20
IUPAC Name2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine
SMILESCC(C)(C)c1ccc(-c2cc3c(-c4ccc(C(C)(C)C)cc4)nccc3s2)cc1
InChIInChI=1S/C27H29NS/c1-26(2,3)20-11-7-18(8-12-20)24-17-22-23(29-24)15-16-28-25(22)19-9-13-21(14-10-19)27(4,5)6/h7-17H,1-6H3
InChIKeyBYFZOWCFNOTRDX-UHFFFAOYSA-N
XLogP8.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(4-tert-butylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine;methane
CID 162173615
4-(4-tert-butylbenzene-6-id-1-yl)-2-(4-tert-butylphenyl)thieno[3,2-c]pyridine;[[di(propan-2-yl)amino]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;iridium(3+)
CID 140720771
2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine
CID 171718260
4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine
CID 171718273
4-(4-tert-butylbenzene-6-id-1-yl)-2-methylthieno[3,2-c]pyridine;iridium
CID 140720785
7-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[2,3-c]pyridine
CID 171718726
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-7-ylthieno[3,2-c]pyridine
CID 171717994
4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine
CID 171718083
1-[3-(4-tert-butylphenyl)phenyl]isoquinoline;carbanide;iridium
CID 166502136
7-methyl-2-[4-[4-(7-methylthieno[3,2-e][1]benzothiol-2-yl)phenyl]phenyl]thieno[3,2-e][1]benzothiole
CID 143769806
4-(4-tert-butylbenzene-6-id-1-yl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine;4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine);trifluoromethanesulfonate
CID 158442063
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine
CID 171718675

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine (CID 121382363) is 2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine is CC(C)(C)c1ccc(-c2cc3c(-c4ccc(C(C)(C)C)cc4)nccc3s2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine?
The InChIKey is BYFZOWCFNOTRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NS/c1-26(2,3)20-11-7-18(8-12-20)24-17-22-23(29-24)15-16-28-25(22)19-9-13-21(14-10-19)27(4,5)6/h7-17H,1-6H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine?
2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine has a molecular weight of 399.60 g/mol, XLogP of 8.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 121382363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).