N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine

C51H28N4O4 — CID 171727191

IUPACN,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)oc1ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(N(c4cccc5oc6ccccc6c45)c4cccc5oc6ccccc6c45)n3)cc12
InChIInChI=1S/C51H28N4O4/c1-5-17-39-31(11-1)35-27-29(23-25-43(35)56-39)49-52-50(30-24-26-44-36(28-30)32-12-2-6-18-40(32)57-44)54-51(53-49)55(37-15-9-21-45-47(37)33-13-3-7-19-41(33)58-45)38-16-10-22-46-48(38)34-14-4-8-20-42(34)59-46/h1-28H
InChIKeyRBERIKLSINMOJU-UHFFFAOYSA-N
MW760.81 g/mol
LogP14.27
Rot. Bonds5

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

N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine (PubChem CID 171727191) has the molecular formula C51H28N4O4 and a molecular weight of 760.81 g/mol. Its IUPAC name is N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine
PubChem CID171727191
Molecular FormulaC51H28N4O4
Molecular Weight760.81 g/mol
Exact Mass760.21
IUPAC NameN,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)oc1ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(N(c4cccc5oc6ccccc6c45)c4cccc5oc6ccccc6c45)n3)cc12
InChIInChI=1S/C51H28N4O4/c1-5-17-39-31(11-1)35-27-29(23-25-43(35)56-39)49-52-50(30-24-26-44-36(28-30)32-12-2-6-18-40(32)57-44)54-51(53-49)55(37-15-9-21-45-47(37)33-13-3-7-19-41(33)58-45)38-16-10-22-46-48(38)34-14-4-8-20-42(34)59-46/h1-28H
InChIKeyRBERIKLSINMOJU-UHFFFAOYSA-N
XLogP14.27
TPSA94.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.81
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine
CID 171727085
4-dibenzofuran-2-yl-N,N,6-tri(dibenzofuran-3-yl)-1,3,5-triazin-2-amine
CID 171726990
N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine
CID 171726991
2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 156522941
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 171726902
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine
CID 118888311
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304343
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112743
4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine
CID 171727253

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine (CID 171727191) is N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine is c1ccc2c(c1)oc1ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(N(c4cccc5oc6ccccc6c45)c4cccc5oc6ccccc6c45)n3)cc12.
What is the InChIKey of N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is RBERIKLSINMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4O4/c1-5-17-39-31(11-1)35-27-29(23-25-43(35)56-39)49-52-50(30-24-26-44-36(28-30)32-12-2-6-18-40(32)57-44)54-51(53-49)55(37-15-9-21-45-47(37)33-13-3-7-19-41(33)58-45)38-16-10-22-46-48(38)34-14-4-8-20-42(34)59-46/h1-28H.
What are the key properties of N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine?
N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 760.81 g/mol, XLogP of 14.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).