2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

C31H21N3O — CID 156549192

IUPAC2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc4c(c3)oc3ccc5ccccc5c34)N2)cc1
InChIInChI=1S/C31H21N3O/c1-3-10-21(11-4-1)29-32-30(22-12-5-2-6-13-22)34-31(33-29)23-15-17-25-27(19-23)35-26-18-16-20-9-7-8-14-24(20)28(25)26/h1-19,29H,(H,32,33,34)
InChIKeyYFEOIERPPZPKTJ-UHFFFAOYSA-N
MW451.53 g/mol
LogP7.23
Rot. Bonds3

About 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 156549192) has the molecular formula C31H21N3O and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID156549192
Molecular FormulaC31H21N3O
Molecular Weight451.53 g/mol
Exact Mass451.17
IUPAC Name2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc4c(c3)oc3ccc5ccccc5c34)N2)cc1
InChIInChI=1S/C31H21N3O/c1-3-10-21(11-4-1)29-32-30(22-12-5-2-6-13-22)34-31(33-29)23-15-17-25-27(19-23)35-26-18-16-20-9-7-8-14-24(20)28(25)26/h1-19,29H,(H,32,33,34)
InChIKeyYFEOIERPPZPKTJ-UHFFFAOYSA-N
XLogP7.23
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 142294091
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-(6-benzo[c]phenanthren-2-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 158958108
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 134299619
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276
4-(3-phenanthren-2-yldibenzofuran-1-yl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 167029899

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 156549192) is 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)N=C(c3ccc4c(c3)oc3ccc5ccccc5c34)N2)cc1.
What is the InChIKey of 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is YFEOIERPPZPKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O/c1-3-10-21(11-4-1)29-32-30(22-12-5-2-6-13-22)34-31(33-29)23-15-17-25-27(19-23)35-26-18-16-20-9-7-8-14-24(20)28(25)26/h1-19,29H,(H,32,33,34).
What are the key properties of 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 451.53 g/mol, XLogP of 7.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 156549192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).