N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine

C45H26N4O3 — CID 171727085

IUPACN-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H26N4O3/c1-2-11-27(12-3-1)43-46-44(28-21-24-39-34(25-28)31-14-5-8-18-37(31)50-39)48-45(47-43)49(29-22-23-32-30-13-4-7-17-36(30)52-41(32)26-29)35-16-10-20-40-42(35)33-15-6-9-19-38(33)51-40/h1-26H
InChIKeyNRAVZCNMJGYNSK-UHFFFAOYSA-N
MW670.73 g/mol
LogP12.37
Rot. Bonds5

About N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine

N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 171727085) has the molecular formula C45H26N4O3 and a molecular weight of 670.73 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine
PubChem CID171727085
Molecular FormulaC45H26N4O3
Molecular Weight670.73 g/mol
Exact Mass670.20
IUPAC NameN-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H26N4O3/c1-2-11-27(12-3-1)43-46-44(28-21-24-39-34(25-28)31-14-5-8-18-37(31)50-39)48-45(47-43)49(29-22-23-32-30-13-4-7-17-36(30)52-41(32)26-29)35-16-10-20-40-42(35)33-15-6-9-19-38(33)51-40/h1-26H
InChIKeyNRAVZCNMJGYNSK-UHFFFAOYSA-N
XLogP12.37
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.73
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine
CID 171727191
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
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 171726902
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-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine
CID 155139601
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383591
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166742269

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine (CID 171727085) is N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is NRAVZCNMJGYNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O3/c1-2-11-27(12-3-1)43-46-44(28-21-24-39-34(25-28)31-14-5-8-18-37(31)50-39)48-45(47-43)49(29-22-23-32-30-13-4-7-17-36(30)52-41(32)26-29)35-16-10-20-40-42(35)33-15-6-9-19-38(33)51-40/h1-26H.
What are the key properties of N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine?
N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 670.73 g/mol, XLogP of 12.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).