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1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine

C28H26N2O — CID 162710621

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
SMILESCc1cc2c(oc3c(-c4cc(C(C)(C)c5ccccc5)ccn4)ccc(C)c32)c(C)n1
InChIInChI=1S/C28H26N2O/c1-17-11-12-22(27-25(17)23-15-18(2)30-19(3)26(23)31-27)24-16-21(13-14-29-24)28(4,5)20-9-7-6-8-10-20/h6-16H,1-5H3
InChIKeyOJZHIQNESYZNNU-UHFFFAOYSA-N
MW406.53 g/mol
LogP7.29
Rot. Bonds3

About 1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine

1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 162710621) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID162710621
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
SMILESCc1cc2c(oc3c(-c4cc(C(C)(C)c5ccccc5)ccn4)ccc(C)c32)c(C)n1
InChIInChI=1S/C28H26N2O/c1-17-11-12-22(27-25(17)23-15-18(2)30-19(3)26(23)31-27)24-16-21(13-14-29-24)28(4,5)20-9-7-6-8-10-20/h6-16H,1-5H3
InChIKeyOJZHIQNESYZNNU-UHFFFAOYSA-N
XLogP7.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine (CID 162710621) is 1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine is Cc1cc2c(oc3c(-c4cc(C(C)(C)c5ccccc5)ccn4)ccc(C)c32)c(C)n1.
What is the InChIKey of 1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is OJZHIQNESYZNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-17-11-12-22(27-25(17)23-15-18(2)30-19(3)26(23)31-27)24-16-21(13-14-29-24)28(4,5)20-9-7-6-8-10-20/h6-16H,1-5H3.
What are the key properties of 1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 406.53 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 162710621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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