6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran

C146H136N4O10 — CID 157080688

IUPAC6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran
SMILESCC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1ccc2c(c1)oc1ncccc12.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1ccc2oc3ncccc3c2c1.CC(C)c1cccc2c1oc1ccccc12.CC(C)c1cccc2oc3ccccc3c12.CC(C)c1cccc2oc3cccnc3c12.CC(C)c1cccc2oc3ccncc3c12
InChIInChI=1S/6C15H14O.4C14H13NO/c1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)16-15(11)13;1-10(2)11-7-5-9-14-15(11)12-6-3-4-8-13(12)16-14;2*1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;2*1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-9(2)10-5-3-6-11-13(10)14-12(16-11)7-4-8-15-14;1-9(2)10-5-6-11-12-4-3-7-15-14(12)16-13(11)8-10;1-9(2)10-5-6-13-12(8-10)11-4-3-7-15-14(11)16-13;1-9(2)10-4-3-5-13-14(10)11-8-15-7-6-12(11)16-13/h6*3-10H,1-2H3;4*3-9H,1-2H3
InChIKeyADMWFQAUPREGBA-UHFFFAOYSA-N
MW2106.71 g/mol
LogP44.67
Rot. Bonds10

About 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran

6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran (PubChem CID 157080688) has the molecular formula C146H136N4O10 and a molecular weight of 2106.71 g/mol. Its IUPAC name is 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran.

Molecular Properties

Compound Name6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran
PubChem CID157080688
Molecular FormulaC146H136N4O10
Molecular Weight2106.71 g/mol
Exact Mass2105.03
IUPAC Name6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran
SMILESCC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1ccc2c(c1)oc1ncccc12.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1ccc2oc3ncccc3c2c1.CC(C)c1cccc2c1oc1ccccc12.CC(C)c1cccc2oc3ccccc3c12.CC(C)c1cccc2oc3cccnc3c12.CC(C)c1cccc2oc3ccncc3c12
InChIInChI=1S/6C15H14O.4C14H13NO/c1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)16-15(11)13;1-10(2)11-7-5-9-14-15(11)12-6-3-4-8-13(12)16-14;2*1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;2*1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-9(2)10-5-3-6-11-13(10)14-12(16-11)7-4-8-15-14;1-9(2)10-5-6-11-12-4-3-7-15-14(12)16-13(11)8-10;1-9(2)10-5-6-13-12(8-10)11-4-3-7-15-14(11)16-13;1-9(2)10-4-3-5-13-14(10)11-8-15-7-6-12(11)16-13/h6*3-10H,1-2H3;4*3-9H,1-2H3
InChIKeyADMWFQAUPREGBA-UHFFFAOYSA-N
XLogP44.67
TPSA182.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002106.71
LogP ≤ 544.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran?
The IUPAC name of 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran (CID 157080688) is 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran.
What is the SMILES notation for 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran?
The canonical SMILES for 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran is CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1ccc2c(c1)oc1ncccc12.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1ccc2oc3ncccc3c2c1.CC(C)c1cccc2c1oc1ccccc12.CC(C)c1cccc2oc3ccccc3c12.CC(C)c1cccc2oc3cccnc3c12.CC(C)c1cccc2oc3ccncc3c12.
What is the InChIKey of 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran?
The InChIKey is ADMWFQAUPREGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/6C15H14O.4C14H13NO/c1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)16-15(11)13;1-10(2)11-7-5-9-14-15(11)12-6-3-4-8-13(12)16-14;2*1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;2*1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-9(2)10-5-3-6-11-13(10)14-12(16-11)7-4-8-15-14;1-9(2)10-5-6-11-12-4-3-7-15-14(12)16-13(11)8-10;1-9(2)10-5-6-13-12(8-10)11-4-3-7-15-14(11)16-13;1-9(2)10-4-3-5-13-14(10)11-8-15-7-6-12(11)16-13/h6*3-10H,1-2H3;4*3-9H,1-2H3.
What are the key properties of 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran?
6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran has a molecular weight of 2106.71 g/mol, XLogP of 44.67, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-propan-2-yl-[1]benzofuro[2,3-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-b]pyridine;9-propan-2-yl-[1]benzofuro[3,2-c]pyridine;1-propan-2-yldibenzofuran;bis(2-propan-2-yldibenzofuran);bis(3-propan-2-yldibenzofuran);4-propan-2-yldibenzofuran is sourced from PubChem (CID 157080688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).