2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine

C31H29NS — CID 155626016

IUPAC2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine
SMILESCC(C)c1cc(-c2cc3cnc(-c4cccc(-c5ccccc5)c4)cc3s2)cc(C(C)C)c1
InChIInChI=1S/C31H29NS/c1-20(2)25-14-26(21(3)4)16-27(15-25)30-17-28-19-32-29(18-31(28)33-30)24-12-8-11-23(13-24)22-9-6-5-7-10-22/h5-21H,1-4H3
InChIKeyLIDXQDLRCKLAET-UHFFFAOYSA-N
MW447.65 g/mol
LogP9.54
Rot. Bonds5

About 2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine

2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine (PubChem CID 155626016) has the molecular formula C31H29NS and a molecular weight of 447.65 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine
PubChem CID155626016
Molecular FormulaC31H29NS
Molecular Weight447.65 g/mol
Exact Mass447.20
IUPAC Name2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine
SMILESCC(C)c1cc(-c2cc3cnc(-c4cccc(-c5ccccc5)c4)cc3s2)cc(C(C)C)c1
InChIInChI=1S/C31H29NS/c1-20(2)25-14-26(21(3)4)16-27(15-25)30-17-28-19-32-29(18-31(28)33-30)24-12-8-11-23(13-24)22-9-6-5-7-10-22/h5-21H,1-4H3
InChIKeyLIDXQDLRCKLAET-UHFFFAOYSA-N
XLogP9.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.65
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
CID 155626807
6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
CID 155626337
2,3-diphenyl-6-(3-phenylphenyl)thieno[3,2-c]pyridine
CID 155626281
2-[3-[4-(1-benzothiophen-2-yl)phenyl]-5-(4-pyrimidin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163807686
5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
CID 155626143
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
3-[3-[4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-[3-phenyl-5-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786256
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155626207
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626404
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine?
The IUPAC name of 2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine (CID 155626016) is 2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine is CC(C)c1cc(-c2cc3cnc(-c4cccc(-c5ccccc5)c4)cc3s2)cc(C(C)C)c1.
What is the InChIKey of 2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine?
The InChIKey is LIDXQDLRCKLAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NS/c1-20(2)25-14-26(21(3)4)16-27(15-25)30-17-28-19-32-29(18-31(28)33-30)24-12-8-11-23(13-24)22-9-6-5-7-10-22/h5-21H,1-4H3.
What are the key properties of 2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine?
2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine has a molecular weight of 447.65 g/mol, XLogP of 9.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 155626016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).