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

C51H28N4O4 — CID 171727253

IUPAC4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc4c(c3)oc3ccccc34)c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5c4oc4ccccc45)n3)ccc12
InChIInChI=1S/C51H28N4O4/c1-5-16-41-32(10-1)36-23-21-30(27-46(36)57-41)55(31-22-24-37-33-11-2-6-17-42(33)58-47(37)28-31)51-53-49(29-20-25-45-40(26-29)35-13-4-7-18-43(35)56-45)52-50(54-51)39-15-9-14-38-34-12-3-8-19-44(34)59-48(38)39/h1-28H
InChIKeyOOZJFRQEBHMSOQ-UHFFFAOYSA-N
MW760.81 g/mol
LogP14.27
Rot. Bonds5

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

4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine (PubChem CID 171727253) has the molecular formula C51H28N4O4 and a molecular weight of 760.81 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine
PubChem CID171727253
Molecular FormulaC51H28N4O4
Molecular Weight760.81 g/mol
Exact Mass760.21
IUPAC Name4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc4c(c3)oc3ccccc34)c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5c4oc4ccccc45)n3)ccc12
InChIInChI=1S/C51H28N4O4/c1-5-16-41-32(10-1)36-23-21-30(27-46(36)57-41)55(31-22-24-37-33-11-2-6-17-42(33)58-47(37)28-31)51-53-49(29-20-25-45-40(26-29)35-13-4-7-18-43(35)56-45)52-50(54-51)39-15-9-14-38-34-12-3-8-19-44(34)59-48(38)39/h1-28H
InChIKeyOOZJFRQEBHMSOQ-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

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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
N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine
CID 171726991
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 171726902
N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine
CID 171727085
2-dibenzofuran-2-yl-4-dibenzofuran-4-yl-6-(4-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278757
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine
CID 157059283
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
7-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168805484
N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine
CID 170033287
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163856870
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine (CID 171727253) is 4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine is c1ccc2c(c1)oc1cc(N(c3ccc4c(c3)oc3ccccc34)c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5c4oc4ccccc45)n3)ccc12.
What is the InChIKey of 4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine?
The InChIKey is OOZJFRQEBHMSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4O4/c1-5-16-41-32(10-1)36-23-21-30(27-46(36)57-41)55(31-22-24-37-33-11-2-6-17-42(33)58-47(37)28-31)51-53-49(29-20-25-45-40(26-29)35-13-4-7-18-43(35)56-45)52-50(54-51)39-15-9-14-38-34-12-3-8-19-44(34)59-48(38)39/h1-28H.
What are the key properties of 4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine?
4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-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 4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).