2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine

C39H26N4O — CID 165031168

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C39H26N4O/c1-5-15-27(16-6-1)37-40-38(28-17-7-2-8-18-28)42-39(41-37)29-25-33-32-23-13-14-24-35(32)44-36(33)34(26-29)43(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-26H
InChIKeyMRFSODBETLLNBZ-UHFFFAOYSA-N
MW566.66 g/mol
LogP10.24
Rot. Bonds6

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine (PubChem CID 165031168) has the molecular formula C39H26N4O and a molecular weight of 566.66 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine
PubChem CID165031168
Molecular FormulaC39H26N4O
Molecular Weight566.66 g/mol
Exact Mass566.21
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C39H26N4O/c1-5-15-27(16-6-1)37-40-38(28-17-7-2-8-18-28)42-39(41-37)29-25-33-32-23-13-14-24-35(32)44-36(33)34(26-29)43(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-26H
InChIKeyMRFSODBETLLNBZ-UHFFFAOYSA-N
XLogP10.24
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
2-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 175613378
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 154968615
2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 171416687
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 171726902
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline
CID 166974736
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171757084
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 148775641
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368
N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 169048881
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 169294604

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine (CID 165031168) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine?
The InChIKey is MRFSODBETLLNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O/c1-5-15-27(16-6-1)37-40-38(28-17-7-2-8-18-28)42-39(41-37)29-25-33-32-23-13-14-24-35(32)44-36(33)34(26-29)43(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-26H.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine has a molecular weight of 566.66 g/mol, XLogP of 10.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 165031168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).