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

C64H42N2O2 — CID 76808524

IUPACN-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
SMILESC(=Cc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)cc1)c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C64H42N2O2/c1-3-15-53-47(11-1)13-9-19-59(53)65(51-37-39-57-55-17-5-7-21-61(55)67-63(57)41-51)49-33-27-44(28-34-49)24-23-43-25-29-45(30-26-43)46-31-35-50(36-32-46)66(60-20-10-14-48-12-2-4-16-54(48)60)52-38-40-58-56-18-6-8-22-62(56)68-64(58)42-52/h1-42H
InChIKeyCDIMGLNPALNNCX-UHFFFAOYSA-N
MW871.05 g/mol
LogP18.57
Rot. Bonds9

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

N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 76808524) has the molecular formula C64H42N2O2 and a molecular weight of 871.05 g/mol. Its IUPAC name is N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
PubChem CID76808524
Molecular FormulaC64H42N2O2
Molecular Weight871.05 g/mol
Exact Mass870.32
IUPAC NameN-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
SMILESC(=Cc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)cc1)c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C64H42N2O2/c1-3-15-53-47(11-1)13-9-19-59(53)65(51-37-39-57-55-17-5-7-21-61(55)67-63(57)41-51)49-33-27-44(28-34-49)24-23-43-25-29-45(30-26-43)46-31-35-50(36-32-46)66(60-20-10-14-48-12-2-4-16-54(48)60)52-38-40-58-56-18-6-8-22-62(56)68-64(58)42-52/h1-42H
InChIKeyCDIMGLNPALNNCX-UHFFFAOYSA-N
XLogP18.57
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.05
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 131980093
N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 58511479
N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160623452
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The IUPAC name of N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine (CID 76808524) is N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine.
What is the SMILES notation for N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The canonical SMILES for N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine is C(=Cc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)cc1)c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The InChIKey is CDIMGLNPALNNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O2/c1-3-15-53-47(11-1)13-9-19-59(53)65(51-37-39-57-55-17-5-7-21-61(55)67-63(57)41-51)49-33-27-44(28-34-49)24-23-43-25-29-45(30-26-43)46-31-35-50(36-32-46)66(60-20-10-14-48-12-2-4-16-54(48)60)52-38-40-58-56-18-6-8-22-62(56)68-64(58)42-52/h1-42H.
What are the key properties of N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine has a molecular weight of 871.05 g/mol, XLogP of 18.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 76808524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).