2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol

C27H19N3O3 — CID 164768534

IUPAC2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol
SMILESCCOc1nc(-c2ccc3c(c2)oc2ccc4ccccc4c23)nc(-c2ccccc2O)n1
InChIInChI=1S/C27H19N3O3/c1-2-32-27-29-25(28-26(30-27)19-9-5-6-10-21(19)31)17-11-13-20-23(15-17)33-22-14-12-16-7-3-4-8-18(16)24(20)22/h3-15,31H,2H2,1H3
InChIKeyGAOLSDTYYQNGKW-UHFFFAOYSA-N
MW433.47 g/mol
LogP6.36
Rot. Bonds4

About 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol

2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol (PubChem CID 164768534) has the molecular formula C27H19N3O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol
PubChem CID164768534
Molecular FormulaC27H19N3O3
Molecular Weight433.47 g/mol
Exact Mass433.14
IUPAC Name2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol
SMILESCCOc1nc(-c2ccc3c(c2)oc2ccc4ccccc4c23)nc(-c2ccccc2O)n1
InChIInChI=1S/C27H19N3O3/c1-2-32-27-29-25(28-26(30-27)19-9-5-6-10-21(19)31)17-11-13-20-23(15-17)33-22-14-12-16-7-3-4-8-18(16)24(20)22/h3-15,31H,2H2,1H3
InChIKeyGAOLSDTYYQNGKW-UHFFFAOYSA-N
XLogP6.36
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol;2-[4-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol
CID 165014001
2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol
CID 165048433
2-(4-dodecoxy-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)phenol
CID 164768332
2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl]phenol
CID 164768656
2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol
CID 164768879
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 176587967
2-(4-dibenzofuran-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol
CID 165000664
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 170017927
2-[4-dodecoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol
CID 164768263
2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 156522941
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 166742467

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol (CID 164768534) is 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol is CCOc1nc(-c2ccc3c(c2)oc2ccc4ccccc4c23)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol?
The InChIKey is GAOLSDTYYQNGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O3/c1-2-32-27-29-25(28-26(30-27)19-9-5-6-10-21(19)31)17-11-13-20-23(15-17)33-22-14-12-16-7-3-4-8-18(16)24(20)22/h3-15,31H,2H2,1H3.
What are the key properties of 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol?
2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol has a molecular weight of 433.47 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 164768534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).