7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine

C28H26N2O — CID 176865276

IUPAC7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)CCC(c2ccc3c(c2)oc2c(-c4ccc5ccccc5c4)ncnc23)CC1
InChIInChI=1S/C28H26N2O/c1-28(2)13-11-19(12-14-28)21-9-10-23-24(16-21)31-27-25(29-17-30-26(23)27)22-8-7-18-5-3-4-6-20(18)15-22/h3-10,15-17,19H,11-14H2,1-2H3
InChIKeyZBLPMFFOGYFUMC-UHFFFAOYSA-N
MW406.53 g/mol
LogP7.88
Rot. Bonds2

About 7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine

7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 176865276) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID176865276
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)CCC(c2ccc3c(c2)oc2c(-c4ccc5ccccc5c4)ncnc23)CC1
InChIInChI=1S/C28H26N2O/c1-28(2)13-11-19(12-14-28)21-9-10-23-24(16-21)31-27-25(29-17-30-26(23)27)22-8-7-18-5-3-4-6-20(18)15-22/h3-10,15-17,19H,11-14H2,1-2H3
InChIKeyZBLPMFFOGYFUMC-UHFFFAOYSA-N
XLogP7.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine
CID 168852909
15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 168815880
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 118245556
4-(4-deuterionaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-6-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 176865406
6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline
CID 156621924
8-(4-phenylphenyl)-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 167236752
15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 153457790
1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176724013
12-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-(4-phenylphenyl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 162774872
4-naphthalen-2-ylquinazoline
CID 58881337
4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 163422178
4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118245310

Frequently Asked Questions

What is the IUPAC name of 7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine (CID 176865276) is 7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine is CC1(C)CCC(c2ccc3c(c2)oc2c(-c4ccc5ccccc5c4)ncnc23)CC1.
What is the InChIKey of 7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ZBLPMFFOGYFUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-28(2)13-11-19(12-14-28)21-9-10-23-24(16-21)31-27-25(29-17-30-26(23)27)22-8-7-18-5-3-4-6-20(18)15-22/h3-10,15-17,19H,11-14H2,1-2H3.
What are the key properties of 7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine?
7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 406.53 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 176865276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).