2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine

C27H29NS — CID 155626837

IUPAC2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2cc3cc(-c4ccccc4)ncc3s2)cc(C(C)(C)C)c1
InChIInChI=1S/C27H29NS/c1-26(2,3)21-12-19(13-22(16-21)27(4,5)6)24-15-20-14-23(28-17-25(20)29-24)18-10-8-7-9-11-18/h7-17H,1-6H3
InChIKeyQCEDZSDZZRAWEH-UHFFFAOYSA-N
MW399.60 g/mol
LogP8.23
Rot. Bonds2

About 2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine

2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine (PubChem CID 155626837) has the molecular formula C27H29NS and a molecular weight of 399.60 g/mol. Its IUPAC name is 2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
PubChem CID155626837
Molecular FormulaC27H29NS
Molecular Weight399.60 g/mol
Exact Mass399.20
IUPAC Name2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2cc3cc(-c4ccccc4)ncc3s2)cc(C(C)(C)C)c1
InChIInChI=1S/C27H29NS/c1-26(2,3)21-12-19(13-22(16-21)27(4,5)6)24-15-20-14-23(28-17-25(20)29-24)18-10-8-7-9-11-18/h7-17H,1-6H3
InChIKeyQCEDZSDZZRAWEH-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

6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
CID 155626337
5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626713
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626404
2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
CID 155626807
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 155626452
6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
CID 155626487
5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine
CID 155626706
6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine
CID 155629099
3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline
CID 162707825
5-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-methylphenyl)thieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626712
2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626361

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine?
The IUPAC name of 2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine (CID 155626837) is 2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine.
What is the SMILES notation for 2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine?
The canonical SMILES for 2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine is CC(C)(C)c1cc(-c2cc3cc(-c4ccccc4)ncc3s2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine?
The InChIKey is QCEDZSDZZRAWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NS/c1-26(2,3)21-12-19(13-22(16-21)27(4,5)6)24-15-20-14-23(28-17-25(20)29-24)18-10-8-7-9-11-18/h7-17H,1-6H3.
What are the key properties of 2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine?
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-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-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine is sourced from PubChem (CID 155626837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).