2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine

C31H31NO — CID 171741293

IUPAC2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine
SMILESCC(C)Cc1coc2cccc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)c12
InChIInChI=1S/C31H31NO/c1-20(2)15-24-19-33-29-12-8-11-26(30(24)29)22-13-14-32-28(18-22)23-16-21-9-6-7-10-25(21)27(17-23)31(3,4)5/h6-14,16-20H,15H2,1-5H3
InChIKeyCRTIBIHSYGHHHU-UHFFFAOYSA-N
MW433.60 g/mol
LogP8.81
Rot. Bonds4

About 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine

2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine (PubChem CID 171741293) has the molecular formula C31H31NO and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine
PubChem CID171741293
Molecular FormulaC31H31NO
Molecular Weight433.60 g/mol
Exact Mass433.24
IUPAC Name2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine
SMILESCC(C)Cc1coc2cccc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)c12
InChIInChI=1S/C31H31NO/c1-20(2)15-24-19-33-29-12-8-11-26(30(24)29)22-13-14-32-28(18-22)23-16-21-9-6-7-10-25(21)27(17-23)31(3,4)5/h6-14,16-20H,15H2,1-5H3
InChIKeyCRTIBIHSYGHHHU-UHFFFAOYSA-N
XLogP8.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-3-(2-methylpropyl)furo[3,2-c]pyridine
CID 171741873
2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine
CID 171741679
3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine
CID 171741540
4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine
CID 171741748
7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine
CID 171741407
7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine
CID 171741895
2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2-methylpropyl)-1-benzothiophen-2-yl]pyridine
CID 171741518
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine
CID 171741379
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
6-(4-tert-butylnaphthalen-2-yl)-14-(2-methylpropyl)-16-oxa-8-thia-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10,12,14-heptaene
CID 170545618
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine?
The IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine (CID 171741293) is 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine.
What is the SMILES notation for 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine?
The canonical SMILES for 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine is CC(C)Cc1coc2cccc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)c12.
What is the InChIKey of 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine?
The InChIKey is CRTIBIHSYGHHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-20(2)15-24-19-33-29-12-8-11-26(30(24)29)22-13-14-32-28(18-22)23-16-21-9-6-7-10-25(21)27(17-23)31(3,4)5/h6-14,16-20H,15H2,1-5H3.
What are the key properties of 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine?
2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine has a molecular weight of 433.60 g/mol, XLogP of 8.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine is sourced from PubChem (CID 171741293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).