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

C36H24N4O — CID 166799970

IUPAC1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3cc(-c4ccccc4)cc4oc5nc6ccccc6cc5c34)N2)cc1
InChIInChI=1S/C36H24N4O/c1-4-12-23(13-5-1)27-21-28(32-29-20-26-18-10-11-19-30(26)37-36(29)41-31(32)22-27)35-39-33(24-14-6-2-7-15-24)38-34(40-35)25-16-8-3-9-17-25/h1-22,33H,(H,38,39,40)
InChIKeyOWXFZAKCKUIEHV-UHFFFAOYSA-N
MW528.62 g/mol
LogP8.30
Rot. Bonds4

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

1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline (PubChem CID 166799970) has the molecular formula C36H24N4O and a molecular weight of 528.62 g/mol. Its IUPAC name is 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline
PubChem CID166799970
Molecular FormulaC36H24N4O
Molecular Weight528.62 g/mol
Exact Mass528.20
IUPAC Name1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3cc(-c4ccccc4)cc4oc5nc6ccccc6cc5c34)N2)cc1
InChIInChI=1S/C36H24N4O/c1-4-12-23(13-5-1)27-21-28(32-29-20-26-18-10-11-19-30(26)37-36(29)41-31(32)22-27)35-39-33(24-14-6-2-7-15-24)38-34(40-35)25-16-8-3-9-17-25/h1-22,33H,(H,38,39,40)
InChIKeyOWXFZAKCKUIEHV-UHFFFAOYSA-N
XLogP8.30
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170289982
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030218
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
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156553938
5-(6-chrysen-3-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 166801245
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline (CID 166799970) is 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline is c1ccc(C2=NC(c3ccccc3)N=C(c3cc(-c4ccccc4)cc4oc5nc6ccccc6cc5c34)N2)cc1.
What is the InChIKey of 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline?
The InChIKey is OWXFZAKCKUIEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4O/c1-4-12-23(13-5-1)27-21-28(32-29-20-26-18-10-11-19-30(26)37-36(29)41-31(32)22-27)35-39-33(24-14-6-2-7-15-24)38-34(40-35)25-16-8-3-9-17-25/h1-22,33H,(H,38,39,40).
What are the key properties of 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline?
1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline has a molecular weight of 528.62 g/mol, XLogP of 8.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 166799970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).