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

C33H31N3O3 — CID 164768879

IUPAC2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol
SMILESCCCCC(CC)COc1nc(-c2ccc3oc4cc5ccccc5cc4c3c2)nc(-c2ccccc2O)n1
InChIInChI=1S/C33H31N3O3/c1-3-5-10-21(4-2)20-38-33-35-31(34-32(36-33)25-13-8-9-14-28(25)37)24-15-16-29-26(18-24)27-17-22-11-6-7-12-23(22)19-30(27)39-29/h6-9,11-19,21,37H,3-5,10,20H2,1-2H3
InChIKeyNALTUORJWNBRSJ-UHFFFAOYSA-N
MW517.63 g/mol
LogP8.56
Rot. Bonds9

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

2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol (PubChem CID 164768879) has the molecular formula C33H31N3O3 and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol
PubChem CID164768879
Molecular FormulaC33H31N3O3
Molecular Weight517.63 g/mol
Exact Mass517.24
IUPAC Name2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol
SMILESCCCCC(CC)COc1nc(-c2ccc3oc4cc5ccccc5cc4c3c2)nc(-c2ccccc2O)n1
InChIInChI=1S/C33H31N3O3/c1-3-5-10-21(4-2)20-38-33-35-31(34-32(36-33)25-13-8-9-14-28(25)37)24-15-16-29-26(18-24)27-17-22-11-6-7-12-23(22)19-30(27)39-29/h6-9,11-19,21,37H,3-5,10,20H2,1-2H3
InChIKeyNALTUORJWNBRSJ-UHFFFAOYSA-N
XLogP8.56
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol with MolForge

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Related Compounds

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
4-[4-anthracen-9-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 164768801
5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-[4-(2-ethylhexoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137127599
2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol
CID 164768534
3,4-bis(2-ethylhexoxy)-2-[4-(2-hydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 175688777
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-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-ethoxyphenol;2-[4-chrysen-6-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-ethoxyphenol;5-ethoxy-2-(4-ethoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol
CID 165071742
2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol
CID 165067142
2-[4-(11,11-diphenylbenzo[b]fluoren-3-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(9,9-diphenylfluoren-1-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(9,9-diphenylfluoren-4-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenol
CID 164961041
2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 146663712

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol (CID 164768879) is 2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol is CCCCC(CC)COc1nc(-c2ccc3oc4cc5ccccc5cc4c3c2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol?
The InChIKey is NALTUORJWNBRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O3/c1-3-5-10-21(4-2)20-38-33-35-31(34-32(36-33)25-13-8-9-14-28(25)37)24-15-16-29-26(18-24)27-17-22-11-6-7-12-23(22)19-30(27)39-29/h6-9,11-19,21,37H,3-5,10,20H2,1-2H3.
What are the key properties of 2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol?
2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol has a molecular weight of 517.63 g/mol, XLogP of 8.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 164768879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).