4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile

C38H22N4O — CID 169048828

IUPAC4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c5ccccc5c(-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C38H22N4O/c39-23-24-15-17-27(18-16-24)37-40-36(26-11-5-2-6-12-26)41-38(42-37)28-19-20-30-33-22-32(25-9-3-1-4-10-25)29-13-7-8-14-31(29)35(33)43-34(30)21-28/h1-22H
InChIKeyFXDMWCLFZANUJI-UHFFFAOYSA-N
MW550.62 g/mol
LogP9.46
Rot. Bonds4

About 4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile

4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 169048828) has the molecular formula C38H22N4O and a molecular weight of 550.62 g/mol. Its IUPAC name is 4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile
PubChem CID169048828
Molecular FormulaC38H22N4O
Molecular Weight550.62 g/mol
Exact Mass550.18
IUPAC Name4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c5ccccc5c(-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C38H22N4O/c39-23-24-15-17-27(18-16-24)37-40-36(26-11-5-2-6-12-26)41-38(42-37)28-19-20-30-33-22-32(25-9-3-1-4-10-25)29-13-7-8-14-31(29)35(33)43-34(30)21-28/h1-22H
InChIKeyFXDMWCLFZANUJI-UHFFFAOYSA-N
XLogP9.46
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-yl-4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 169048833
4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164835293
7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 139522762
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
4-[4-[12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]chrysen-6-yl]naphthalen-1-yl]benzonitrile
CID 167057147
2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 176818283
2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176817775
2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 176817695
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]pyrimidine
CID 164835302
4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinolino[6,5-f]quinolin-12-yl]benzonitrile
CID 167057041
4-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinolin-12-yl]phenyl]benzonitrile
CID 167057213
4-[12-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[2,1-f]quinolin-6-yl]benzonitrile
CID 167057177

Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile (CID 169048828) is 4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c5ccccc5c(-c5ccccc5)cc43)n2)cc1.
What is the InChIKey of 4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is FXDMWCLFZANUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O/c39-23-24-15-17-27(18-16-24)37-40-36(26-11-5-2-6-12-26)41-38(42-37)28-19-20-30-33-22-32(25-9-3-1-4-10-25)29-13-7-8-14-31(29)35(33)43-34(30)21-28/h1-22H.
What are the key properties of 4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 550.62 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 169048828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).