5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine

C43H28N4O — CID 154968615

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5c(N(c6ccccc6)c6ccccc6)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C43H28N4O/c1-5-16-29(17-6-1)41-44-42(30-18-7-2-8-19-30)46-43(45-41)36-28-38-39(34-25-14-13-24-33(34)36)35-26-15-27-37(40(35)48-38)47(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-28H
InChIKeyXWHTZTMVSFHPSW-UHFFFAOYSA-N
MW616.72 g/mol
LogP11.40
Rot. Bonds6

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 154968615) has the molecular formula C43H28N4O and a molecular weight of 616.72 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
PubChem CID154968615
Molecular FormulaC43H28N4O
Molecular Weight616.72 g/mol
Exact Mass616.23
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5c(N(c6ccccc6)c6ccccc6)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C43H28N4O/c1-5-16-29(17-6-1)41-44-42(30-18-7-2-8-19-30)46-43(45-41)36-28-38-39(34-25-14-13-24-33(34)36)35-26-15-27-37(40(35)48-38)47(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-28H
InChIKeyXWHTZTMVSFHPSW-UHFFFAOYSA-N
XLogP11.40
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171757084
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline
CID 171757236
N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808221
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368
7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170096125
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169294685
N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 169048881
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 166867397
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
N-dibenzofuran-4-yl-1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853627
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine
CID 165031168

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine (CID 154968615) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5c(N(c6ccccc6)c6ccccc6)cccc5c4c4ccccc34)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is XWHTZTMVSFHPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4O/c1-5-16-29(17-6-1)41-44-42(30-18-7-2-8-19-30)46-43(45-41)36-28-38-39(34-25-14-13-24-33(34)36)35-26-15-27-37(40(35)48-38)47(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-28H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 616.72 g/mol, XLogP of 11.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 154968615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).