7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine

C35H35NO2 — CID 171718708

IUPAC7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine
SMILESCc1c(-c2cccc3oc(CC(C)C)c(C)c23)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C35H35NO2/c1-20(2)17-30-22(4)31-27(13-10-14-29(31)37-30)33-21(3)25-15-16-36-32(34(25)38-33)24-18-23-11-8-9-12-26(23)28(19-24)35(5,6)7/h8-16,18-20H,17H2,1-7H3
InChIKeyPDSVGFZZVMLMOL-UHFFFAOYSA-N
MW501.67 g/mol
LogP10.17
Rot. Bonds4

About 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine (PubChem CID 171718708) has the molecular formula C35H35NO2 and a molecular weight of 501.67 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine
PubChem CID171718708
Molecular FormulaC35H35NO2
Molecular Weight501.67 g/mol
Exact Mass501.27
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine
SMILESCc1c(-c2cccc3oc(CC(C)C)c(C)c23)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C35H35NO2/c1-20(2)17-30-22(4)31-27(13-10-14-29(31)37-30)33-21(3)25-15-16-36-32(34(25)38-33)24-18-23-11-8-9-12-26(23)28(19-24)35(5,6)7/h8-16,18-20H,17H2,1-7H3
InChIKeyPDSVGFZZVMLMOL-UHFFFAOYSA-N
XLogP10.17
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-6-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
CID 171718328
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-5-yl]furo[3,2-c]pyridine
CID 171717934
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
CID 171718251
1-(4-tert-butylnaphthalen-2-yl)-7-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine
CID 154599340
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylfuro[2,3-c]pyridin-2-yl]phenyl]-trimethylgermane
CID 168743416
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine
CID 171718566
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[5-(2-methylpropyl)-1-benzothiophen-3-yl]furo[3,2-c]pyridine
CID 171718091
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[3,2-c]pyridine
CID 171718664
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine
CID 171718233
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
CID 170660593
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
CID 171718138

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine (CID 171718708) is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine is Cc1c(-c2cccc3oc(CC(C)C)c(C)c23)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine?
The InChIKey is PDSVGFZZVMLMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35NO2/c1-20(2)17-30-22(4)31-27(13-10-14-29(31)37-30)33-21(3)25-15-16-36-32(34(25)38-33)24-18-23-11-8-9-12-26(23)28(19-24)35(5,6)7/h8-16,18-20H,17H2,1-7H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine has a molecular weight of 501.67 g/mol, XLogP of 10.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzofuran-4-yl]furo[2,3-c]pyridine is sourced from PubChem (CID 171718708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).