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

C57H36N4O2 — CID 154938603

IUPAC1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C57H36N4O2/c1-4-15-37(16-5-1)39-27-31-42(32-28-39)61(43-33-29-40(30-34-43)38-17-6-2-7-18-38)44-35-49(53-47-22-11-13-26-51(47)62-52(53)36-44)57-59-55(41-19-8-3-9-20-41)58-56(60-57)48-24-14-23-46-45-21-10-12-25-50(45)63-54(46)48/h1-36H
InChIKeyUTGVNFGPIRBERF-UHFFFAOYSA-N
MW808.94 g/mol
LogP15.48
Rot. Bonds8

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

1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 154938603) has the molecular formula C57H36N4O2 and a molecular weight of 808.94 g/mol. Its IUPAC name is 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID154938603
Molecular FormulaC57H36N4O2
Molecular Weight808.94 g/mol
Exact Mass808.28
IUPAC Name1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C57H36N4O2/c1-4-15-37(16-5-1)39-27-31-42(32-28-39)61(43-33-29-40(30-34-43)38-17-6-2-7-18-38)44-35-49(53-47-22-11-13-26-51(47)62-52(53)36-44)57-59-55(41-19-8-3-9-20-41)58-56(60-57)48-24-14-23-46-45-21-10-12-25-50(45)63-54(46)48/h1-36H
InChIKeyUTGVNFGPIRBERF-UHFFFAOYSA-N
XLogP15.48
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.94
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253213
2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 130327493
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853817
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253216
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
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
N-[4-[1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 170093258
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
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-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine (CID 154938603) is 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is UTGVNFGPIRBERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O2/c1-4-15-37(16-5-1)39-27-31-42(32-28-39)61(43-33-29-40(30-34-43)38-17-6-2-7-18-38)44-35-49(53-47-22-11-13-26-51(47)62-52(53)36-44)57-59-55(41-19-8-3-9-20-41)58-56(60-57)48-24-14-23-46-45-21-10-12-25-50(45)63-54(46)48/h1-36H.
What are the key properties of 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 808.94 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 154938603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).