7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine

C51H34N4O — CID 170095870

IUPAC7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc2)cc1
InChIInChI=1S/C51H34N4O/c1-5-15-35(16-6-1)36-25-28-41(29-26-36)55(40-21-11-4-12-22-40)42-30-32-45-44-31-27-39(33-47(44)56-48(45)34-42)43-23-13-14-24-46(43)51-53-49(37-17-7-2-8-18-37)52-50(54-51)38-19-9-3-10-20-38/h1-34H
InChIKeyNPNZKWSTVXCLPB-UHFFFAOYSA-N
MW718.86 g/mol
LogP13.58
Rot. Bonds8

About 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine

7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 170095870) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID170095870
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc2)cc1
InChIInChI=1S/C51H34N4O/c1-5-15-35(16-6-1)36-25-28-41(29-26-36)55(40-21-11-4-12-22-40)42-30-32-45-44-31-27-39(33-47(44)56-48(45)34-42)43-23-13-14-24-46(43)51-53-49(37-17-7-2-8-18-37)52-50(54-51)38-19-9-3-10-20-38/h1-34H
InChIKeyNPNZKWSTVXCLPB-UHFFFAOYSA-N
XLogP13.58
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170383671
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170095547
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095491
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171757155
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095126
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170095080

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 170095870) is 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc2)cc1.
What is the InChIKey of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is NPNZKWSTVXCLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-5-15-35(16-6-1)36-25-28-41(29-26-36)55(40-21-11-4-12-22-40)42-30-32-45-44-31-27-39(33-47(44)56-48(45)34-42)43-23-13-14-24-46(43)51-53-49(37-17-7-2-8-18-37)52-50(54-51)38-19-9-3-10-20-38/h1-34H.
What are the key properties of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 718.86 g/mol, XLogP of 13.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170095870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).