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

C51H28N4O4 — CID 171726991

IUPACN,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)oc1cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5oc6ccccc6c5c4)n3)ccc12
InChIInChI=1S/C51H28N4O4/c1-5-13-41-33(9-1)37-21-17-30(26-47(37)58-41)50-52-49(29-18-23-45-39(25-29)35-11-3-7-15-43(35)56-45)53-51(54-50)55(31-20-24-46-40(27-31)36-12-4-8-16-44(36)57-46)32-19-22-38-34-10-2-6-14-42(34)59-48(38)28-32/h1-28H
InChIKeyYCXFODKEIFMXFT-UHFFFAOYSA-N
MW760.81 g/mol
LogP14.27
Rot. Bonds5

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

N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine (PubChem CID 171726991) has the molecular formula C51H28N4O4 and a molecular weight of 760.81 g/mol. Its IUPAC name is N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine
PubChem CID171726991
Molecular FormulaC51H28N4O4
Molecular Weight760.81 g/mol
Exact Mass760.21
IUPAC NameN,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)oc1cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5oc6ccccc6c5c4)n3)ccc12
InChIInChI=1S/C51H28N4O4/c1-5-13-41-33(9-1)37-21-17-30(26-47(37)58-41)50-52-49(29-18-23-45-39(25-29)35-11-3-7-15-43(35)56-45)53-51(54-50)55(31-20-24-46-40(27-31)36-12-4-8-16-44(36)57-46)32-19-22-38-34-10-2-6-14-42(34)59-48(38)28-32/h1-28H
InChIKeyYCXFODKEIFMXFT-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,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-dibenzofuran-2-yl-N,N,6-tri(dibenzofuran-3-yl)-1,3,5-triazin-2-amine
CID 171726990
4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine
CID 171727253
N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine
CID 171727085
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 171726902
N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine
CID 171727191
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095491
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 156522941
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587

Frequently Asked Questions

What is the IUPAC name of N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine (CID 171726991) is N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine is c1ccc2c(c1)oc1cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5oc6ccccc6c5c4)n3)ccc12.
What is the InChIKey of N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is YCXFODKEIFMXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4O4/c1-5-13-41-33(9-1)37-21-17-30(26-47(37)58-41)50-52-49(29-18-23-45-39(25-29)35-11-3-7-15-43(35)56-45)53-51(54-50)55(31-20-24-46-40(27-31)36-12-4-8-16-44(36)57-46)32-19-22-38-34-10-2-6-14-42(34)59-48(38)28-32/h1-28H.
What are the key properties of N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine?
N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-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,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171726991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).