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

C49H32N4O — CID 171757084

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C49H32N4O/c1-5-16-33(17-6-1)34-28-30-38(31-29-34)53(37-22-11-4-12-23-37)43-27-15-26-41-45-40-25-14-13-24-39(40)42(32-44(45)54-46(41)43)49-51-47(35-18-7-2-8-19-35)50-48(52-49)36-20-9-3-10-21-36/h1-32H
InChIKeyALAOYKWFKSNVSY-UHFFFAOYSA-N
MW692.82 g/mol
LogP13.06
Rot. Bonds7

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 171757084) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID171757084
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C49H32N4O/c1-5-16-33(17-6-1)34-28-30-38(31-29-34)53(37-22-11-4-12-23-37)43-27-15-26-41-45-40-25-14-13-24-39(40)42(32-44(45)54-46(41)43)49-51-47(35-18-7-2-8-19-35)50-48(52-49)36-20-9-3-10-21-36/h1-32H
InChIKeyALAOYKWFKSNVSY-UHFFFAOYSA-N
XLogP13.06
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 513.06
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,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 154968615
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline
CID 171757236
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
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-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368
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,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808221
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
N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177130990
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 167556032

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 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) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc5c34)cc2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is ALAOYKWFKSNVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-5-16-33(17-6-1)34-28-30-38(31-29-34)53(37-22-11-4-12-23-37)43-27-15-26-41-45-40-25-14-13-24-39(40)42(32-44(45)54-46(41)43)49-51-47(35-18-7-2-8-19-35)50-48(52-49)36-20-9-3-10-21-36/h1-32H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 692.82 g/mol, XLogP of 13.06, 7 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-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 171757084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).