N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine

C56H36N2O2 — CID 167086574

IUPACN-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
SMILESc1cc(-c2ccccc2N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)cc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C56H36N2O2/c1-3-22-41-37(16-1)18-12-30-48(41)57(51-32-14-27-46-44-25-6-9-34-53(44)59-55(46)51)40-21-11-20-39(36-40)43-24-5-8-29-49(43)58(50-31-13-19-38-17-2-4-23-42(38)50)52-33-15-28-47-45-26-7-10-35-54(45)60-56(47)52/h1-36H
InChIKeyBGLLMDAKGOWJRL-UHFFFAOYSA-N
MW768.92 g/mol
LogP16.40
Rot. Bonds7

About N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine

N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine (PubChem CID 167086574) has the molecular formula C56H36N2O2 and a molecular weight of 768.92 g/mol. Its IUPAC name is N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
PubChem CID167086574
Molecular FormulaC56H36N2O2
Molecular Weight768.92 g/mol
Exact Mass768.28
IUPAC NameN-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
SMILESc1cc(-c2ccccc2N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)cc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C56H36N2O2/c1-3-22-41-37(16-1)18-12-30-48(41)57(51-32-14-27-46-44-25-6-9-34-53(44)59-55(46)51)40-21-11-20-39(36-40)43-24-5-8-29-49(43)58(50-31-13-19-38-17-2-4-23-42(38)50)52-33-15-28-47-45-26-7-10-35-54(45)60-56(47)52/h1-36H
InChIKeyBGLLMDAKGOWJRL-UHFFFAOYSA-N
XLogP16.40
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167086724
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 163499042
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170014571
2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
CID 126709658
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822
N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423485
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine?
The IUPAC name of N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine (CID 167086574) is N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine.
What is the SMILES notation for N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine?
The canonical SMILES for N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine is c1cc(-c2ccccc2N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)cc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine?
The InChIKey is BGLLMDAKGOWJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O2/c1-3-22-41-37(16-1)18-12-30-48(41)57(51-32-14-27-46-44-25-6-9-34-53(44)59-55(46)51)40-21-11-20-39(36-40)43-24-5-8-29-49(43)58(50-31-13-19-38-17-2-4-23-42(38)50)52-33-15-28-47-45-26-7-10-35-54(45)60-56(47)52/h1-36H.
What are the key properties of N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine?
N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine has a molecular weight of 768.92 g/mol, XLogP of 16.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine is sourced from PubChem (CID 167086574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).