2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine

C31H31NO — CID 171741679

IUPAC2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine
SMILESCC(C)Cc1coc2ccc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)cc12
InChIInChI=1S/C31H31NO/c1-20(2)14-25-19-33-30-11-10-21(16-27(25)30)22-12-13-32-29(18-22)24-15-23-8-6-7-9-26(23)28(17-24)31(3,4)5/h6-13,15-20H,14H2,1-5H3
InChIKeyULRMXDRBVIBEAW-UHFFFAOYSA-N
MW433.60 g/mol
LogP8.81
Rot. Bonds4

About 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine

2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine (PubChem CID 171741679) 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-5-yl]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine
PubChem CID171741679
Molecular FormulaC31H31NO
Molecular Weight433.60 g/mol
Exact Mass433.24
IUPAC Name2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine
SMILESCC(C)Cc1coc2ccc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)cc12
InChIInChI=1S/C31H31NO/c1-20(2)14-25-19-33-30-11-10-21(16-27(25)30)22-12-13-32-29(18-22)24-15-23-8-6-7-9-26(23)28(17-24)31(3,4)5/h6-13,15-20H,14H2,1-5H3
InChIKeyULRMXDRBVIBEAW-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-4-yl]pyridine
CID 171741293
7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine
CID 171741895
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
2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2-methylpropyl)-1-benzothiophen-2-yl]pyridine
CID 171741518
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-5-(2-methylpropyl)thieno[3,2-b]pyridine
CID 171741379
2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine
CID 165383632
4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine
CID 171718083
5-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole
CID 156665435

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine?
The IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine (CID 171741679) is 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine.
What is the SMILES notation for 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine?
The canonical SMILES for 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine is CC(C)Cc1coc2ccc(-c3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3)cc12.
What is the InChIKey of 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine?
The InChIKey is ULRMXDRBVIBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-20(2)14-25-19-33-30-11-10-21(16-27(25)30)22-12-13-32-29(18-22)24-15-23-8-6-7-9-26(23)28(17-24)31(3,4)5/h6-13,15-20H,14H2,1-5H3.
What are the key properties of 2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-yl]pyridine?
2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-5-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-5-yl]pyridine is sourced from PubChem (CID 171741679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).