4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

C36H26N4O — CID 166801416

IUPAC4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=C(C2=NC(c3ccccc3)N=C(c3ccccc3)N2)c2c(oc3ccccc23)NC1c1ccc2ccccc2c1
InChIInChI=1S/C36H26N4O/c1-3-12-24(13-4-1)33-38-34(25-14-5-2-6-15-25)40-35(39-33)29-22-30(27-20-19-23-11-7-8-16-26(23)21-27)37-36-32(29)28-17-9-10-18-31(28)41-36/h1-22,30,33,37H,(H,38,39,40)
InChIKeyKSZUSCLBSDYEBA-UHFFFAOYSA-N
MW530.63 g/mol
LogP8.28
Rot. Bonds4

About 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (PubChem CID 166801416) has the molecular formula C36H26N4O and a molecular weight of 530.63 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
PubChem CID166801416
Molecular FormulaC36H26N4O
Molecular Weight530.63 g/mol
Exact Mass530.21
IUPAC Name4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=C(C2=NC(c3ccccc3)N=C(c3ccccc3)N2)c2c(oc3ccccc23)NC1c1ccc2ccccc2c1
InChIInChI=1S/C36H26N4O/c1-3-12-24(13-4-1)33-38-34(25-14-5-2-6-15-25)40-35(39-33)29-22-30(27-20-19-23-11-7-8-16-26(23)21-27)37-36-32(29)28-17-9-10-18-31(28)41-36/h1-22,30,33,37H,(H,38,39,40)
InChIKeyKSZUSCLBSDYEBA-UHFFFAOYSA-N
XLogP8.28
TPSA61.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 58.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-chrysen-3-yl-5-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 166801326
9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline
CID 163632731
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246119
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170289982

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (CID 166801416) is 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is C1=C(C2=NC(c3ccccc3)N=C(c3ccccc3)N2)c2c(oc3ccccc23)NC1c1ccc2ccccc2c1.
What is the InChIKey of 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is KSZUSCLBSDYEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O/c1-3-12-24(13-4-1)33-38-34(25-14-5-2-6-15-25)40-35(39-33)29-22-30(27-20-19-23-11-7-8-16-26(23)21-27)37-36-32(29)28-17-9-10-18-31(28)41-36/h1-22,30,33,37H,(H,38,39,40).
What are the key properties of 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 530.63 g/mol, XLogP of 8.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 166801416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).