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

C57H38N4O — CID 176818718

IUPACN,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc(N(c6ccccc6-c6ccccc6)c6ccccc6-c6ccccc6)ccc45)n3)c2)cc1
InChIInChI=1S/C57H38N4O/c1-5-18-39(19-6-1)43-26-17-27-44(36-43)56-58-55(42-24-11-4-12-25-42)59-57(60-56)45-32-34-49-50-35-33-46(38-54(50)62-53(49)37-45)61(51-30-15-13-28-47(51)40-20-7-2-8-21-40)52-31-16-14-29-48(52)41-22-9-3-10-23-41/h1-38H
InChIKeyXMEBUCAWLYRTIO-UHFFFAOYSA-N
MW794.96 g/mol
LogP15.24
Rot. Bonds9

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

N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine (PubChem CID 176818718) has the molecular formula C57H38N4O and a molecular weight of 794.96 g/mol. Its IUPAC name is N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
PubChem CID176818718
Molecular FormulaC57H38N4O
Molecular Weight794.96 g/mol
Exact Mass794.30
IUPAC NameN,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc(N(c6ccccc6-c6ccccc6)c6ccccc6-c6ccccc6)ccc45)n3)c2)cc1
InChIInChI=1S/C57H38N4O/c1-5-18-39(19-6-1)43-26-17-27-44(36-43)56-58-55(42-24-11-4-12-25-42)59-57(60-56)45-32-34-49-50-35-33-46(38-54(50)62-53(49)37-45)61(51-30-15-13-28-47(51)40-20-7-2-8-21-40)52-31-16-14-29-48(52)41-22-9-3-10-23-41/h1-38H
InChIKeyXMEBUCAWLYRTIO-UHFFFAOYSA-N
XLogP15.24
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170095547
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095870
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
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-(3-dibenzofuran-3-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294769
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
The IUPAC name of N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine (CID 176818718) is N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine.
What is the SMILES notation for N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
The canonical SMILES for N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc(N(c6ccccc6-c6ccccc6)c6ccccc6-c6ccccc6)ccc45)n3)c2)cc1.
What is the InChIKey of N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
The InChIKey is XMEBUCAWLYRTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4O/c1-5-18-39(19-6-1)43-26-17-27-44(36-43)56-58-55(42-24-11-4-12-25-42)59-57(60-56)45-32-34-49-50-35-33-46(38-54(50)62-53(49)37-45)61(51-30-15-13-28-47(51)40-20-7-2-8-21-40)52-31-16-14-29-48(52)41-22-9-3-10-23-41/h1-38H.
What are the key properties of N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine has a molecular weight of 794.96 g/mol, XLogP of 15.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-phenylphenyl)-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine is sourced from PubChem (CID 176818718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).