1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine

C33H35NO — CID 168852909

IUPAC1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine
SMILESCC1(C)CCC(c2ccc3c(c2)oc2c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc23)CC1
InChIInChI=1S/C33H35NO/c1-32(2,3)28-19-24(18-23-8-6-7-9-25(23)28)30-31-27(14-17-34-30)26-11-10-22(20-29(26)35-31)21-12-15-33(4,5)16-13-21/h6-11,14,17-21H,12-13,15-16H2,1-5H3
InChIKeyQWCWHVXYMDLDRV-UHFFFAOYSA-N
MW461.65 g/mol
LogP9.78
Rot. Bonds2

About 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine

1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 168852909) has the molecular formula C33H35NO and a molecular weight of 461.65 g/mol. Its IUPAC name is 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine
PubChem CID168852909
Molecular FormulaC33H35NO
Molecular Weight461.65 g/mol
Exact Mass461.27
IUPAC Name1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine
SMILESCC1(C)CCC(c2ccc3c(c2)oc2c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc23)CC1
InChIInChI=1S/C33H35NO/c1-32(2,3)28-19-24(18-23-8-6-7-9-25(23)28)30-31-27(14-17-34-30)26-11-10-22(20-29(26)35-31)21-12-15-33(4,5)16-13-21/h6-11,14,17-21H,12-13,15-16H2,1-5H3
InChIKeyQWCWHVXYMDLDRV-UHFFFAOYSA-N
XLogP9.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

1-(4-tert-butylnaphthalen-2-yl)-7-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine
CID 154599340
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)benzo[h]isoquinoline
CID 156667190
1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine
CID 176812431
[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[2,3-c]pyridin-6-yl]-trimethylgermane
CID 166018616
7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 176865276
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline
CID 156621924
[6-(4-tert-butylnaphthalen-2-yl)-4-(4,4-dimethylcyclohexyl)-3-pyridinyl]-trimethylsilane
CID 177122780
7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
CID 170660676
15-(4-tert-butylnaphthalen-2-yl)-17-oxa-6,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581179
13-(4-tert-butylnaphthalen-2-yl)-11-oxa-6,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene
CID 171581401
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine (CID 168852909) is 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine is CC1(C)CCC(c2ccc3c(c2)oc2c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc23)CC1.
What is the InChIKey of 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is QWCWHVXYMDLDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO/c1-32(2,3)28-19-24(18-23-8-6-7-9-25(23)28)30-31-27(14-17-34-30)26-11-10-22(20-29(26)35-31)21-12-15-33(4,5)16-13-21/h6-11,14,17-21H,12-13,15-16H2,1-5H3.
What are the key properties of 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine?
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 461.65 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168852909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).