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

C47H30N4O — CID 170212928

IUPAC1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(N(c6ccccc6)c6ccccc6)c6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C47H30N4O/c1-4-16-32(17-5-1)45-48-46(35-28-27-31-15-10-11-18-33(31)29-35)50-47(49-45)39-25-14-26-41-42(39)40-30-34-19-12-13-24-38(34)43(44(40)52-41)51(36-20-6-2-7-21-36)37-22-8-3-9-23-37/h1-30H
InChIKeyUGXSIDZXXQJBMK-UHFFFAOYSA-N
MW666.78 g/mol
LogP12.55
Rot. Bonds6

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

1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine (PubChem CID 170212928) has the molecular formula C47H30N4O and a molecular weight of 666.78 g/mol. Its IUPAC name is 1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine.

Molecular Properties

Compound Name1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
PubChem CID170212928
Molecular FormulaC47H30N4O
Molecular Weight666.78 g/mol
Exact Mass666.24
IUPAC Name1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(N(c6ccccc6)c6ccccc6)c6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C47H30N4O/c1-4-16-32(17-5-1)45-48-46(35-28-27-31-15-10-11-18-33(31)29-35)50-47(49-45)39-25-14-26-41-42(39)40-30-34-19-12-13-24-38(34)43(44(40)52-41)51(36-20-6-2-7-21-36)37-22-8-3-9-23-37/h1-30H
InChIKeyUGXSIDZXXQJBMK-UHFFFAOYSA-N
XLogP12.55
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
CID 170213623
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 176755159
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 170212992
2,4-dinaphthalen-2-yl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 170212995
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745
11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363481
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine?
The IUPAC name of 1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine (CID 170212928) is 1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine.
What is the SMILES notation for 1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine?
The canonical SMILES for 1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(N(c6ccccc6)c6ccccc6)c6ccccc6cc5c34)n2)cc1.
What is the InChIKey of 1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine?
The InChIKey is UGXSIDZXXQJBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O/c1-4-16-32(17-5-1)45-48-46(35-28-27-31-15-10-11-18-33(31)29-35)50-47(49-45)39-25-14-26-41-42(39)40-30-34-19-12-13-24-38(34)43(44(40)52-41)51(36-20-6-2-7-21-36)37-22-8-3-9-23-37/h1-30H.
What are the key properties of 1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine?
1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine has a molecular weight of 666.78 g/mol, XLogP of 12.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine is sourced from PubChem (CID 170212928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).