1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

C55H36N4O — CID 176853971

IUPAC1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4cc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)c5c(c4)oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-4-16-37(17-5-1)38-30-32-39(33-31-38)42-22-14-25-44(34-42)59(43-23-8-3-9-24-43)45-35-49(52-48-27-12-13-29-50(48)60-51(52)36-45)55-57-53(41-19-6-2-7-20-41)56-54(58-55)47-28-15-21-40-18-10-11-26-46(40)47/h1-36H
InChIKeyDPMGIZATQMXQCJ-UHFFFAOYSA-N
MW768.92 g/mol
LogP14.73
Rot. Bonds8

About 1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 176853971) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound Name1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID176853971
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4cc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)c5c(c4)oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-4-16-37(17-5-1)38-30-32-39(33-31-38)42-22-14-25-44(34-42)59(43-23-8-3-9-24-43)45-35-49(52-48-27-12-13-29-50(48)60-51(52)36-45)55-57-53(41-19-6-2-7-20-41)56-54(58-55)47-28-15-21-40-18-10-11-26-46(40)47/h1-36H
InChIKeyDPMGIZATQMXQCJ-UHFFFAOYSA-N
XLogP14.73
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853817
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 154938698
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
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
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253216
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253213
N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 169280951
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 154938603
N-[4-[1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 170093258
N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853565

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of 1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 176853971) is 1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for 1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for 1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4cc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)c5c(c4)oc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is DPMGIZATQMXQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-4-16-37(17-5-1)38-30-32-39(33-31-38)42-22-14-25-44(34-42)59(43-23-8-3-9-24-43)45-35-49(52-48-27-12-13-29-50(48)60-51(52)36-45)55-57-53(41-19-6-2-7-20-41)56-54(58-55)47-28-15-21-40-18-10-11-26-46(40)47/h1-36H.
What are the key properties of 1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 768.92 g/mol, XLogP of 14.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 176853971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).