6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine

C28H22N2OS — CID 171717812

IUPAC6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine
SMILESCC(C)(C)c1cc(-c2ncnc3cc(-c4ccc5sccc5c4)oc23)cc2ccccc12
InChIInChI=1S/C28H22N2OS/c1-28(2,3)22-14-20(12-17-6-4-5-7-21(17)22)26-27-23(29-16-30-26)15-24(31-27)18-8-9-25-19(13-18)10-11-32-25/h4-16H,1-3H3
InChIKeyIISDQAXOWYZCNM-UHFFFAOYSA-N
MW434.56 g/mol
LogP8.22
Rot. Bonds2

About 6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine

6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine (PubChem CID 171717812) has the molecular formula C28H22N2OS and a molecular weight of 434.56 g/mol. Its IUPAC name is 6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine
PubChem CID171717812
Molecular FormulaC28H22N2OS
Molecular Weight434.56 g/mol
Exact Mass434.15
IUPAC Name6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine
SMILESCC(C)(C)c1cc(-c2ncnc3cc(-c4ccc5sccc5c4)oc23)cc2ccccc12
InChIInChI=1S/C28H22N2OS/c1-28(2,3)22-14-20(12-17-6-4-5-7-21(17)22)26-27-23(29-16-30-26)15-24(31-27)18-8-9-25-19(13-18)10-11-32-25/h4-16H,1-3H3
InChIKeyIISDQAXOWYZCNM-UHFFFAOYSA-N
XLogP8.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-c]pyridine
CID 171717712
4-(1-benzothiophen-5-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741885
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine
CID 171718587
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylfuro[2,3-c]pyridine
CID 171717900
4-(8-tert-butylbenzo[f][1]benzothiol-6-yl)-10-(trifluoromethyl)benzo[g]quinazoline
CID 163546313
4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine
CID 153428560
2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine
CID 171717908
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
CID 171718551
2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine
CID 171718260
6-(1-benzothiophen-4-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[2,3-d]pyrimidine
CID 171717750
2-(1-benzothiophen-6-yl)-7-(4-tert-butylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 171718136

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine?
The IUPAC name of 6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine (CID 171717812) is 6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine.
What is the SMILES notation for 6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine?
The canonical SMILES for 6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine is CC(C)(C)c1cc(-c2ncnc3cc(-c4ccc5sccc5c4)oc23)cc2ccccc12.
What is the InChIKey of 6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine?
The InChIKey is IISDQAXOWYZCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2OS/c1-28(2,3)22-14-20(12-17-6-4-5-7-21(17)22)26-27-23(29-16-30-26)15-24(31-27)18-8-9-25-19(13-18)10-11-32-25/h4-16H,1-3H3.
What are the key properties of 6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine?
6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine has a molecular weight of 434.56 g/mol, XLogP of 8.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-d]pyrimidine is sourced from PubChem (CID 171717812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).