N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine

C58H36N2O2 — CID 174281949

IUPACN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3O5)c3cccc4c3oc3ccccc34)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C58H36N2O2/c1-2-17-43-38(13-1)14-10-20-44(43)40-16-9-15-39(35-40)37-29-32-42(33-30-37)59(53-25-11-22-48-46-19-4-7-26-54(46)62-58(48)53)50-23-5-3-18-45(50)41-31-34-51-49(36-41)47-21-12-28-56-57(47)60(51)52-24-6-8-27-55(52)61-56/h1-36H
InChIKeyHGHCIYDFPPEODT-UHFFFAOYSA-N
MW792.94 g/mol
LogP16.41
Rot. Bonds6

About N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine (PubChem CID 174281949) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine
PubChem CID174281949
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3O5)c3cccc4c3oc3ccccc34)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C58H36N2O2/c1-2-17-43-38(13-1)14-10-20-44(43)40-16-9-15-39(35-40)37-29-32-42(33-30-37)59(53-25-11-22-48-46-19-4-7-26-54(46)62-58(48)53)50-23-5-3-18-45(50)41-31-34-51-49(36-41)47-21-12-28-56-57(47)60(51)52-24-6-8-27-55(52)61-56/h1-36H
InChIKeyHGHCIYDFPPEODT-UHFFFAOYSA-N
XLogP16.41
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline
CID 174281835
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)aniline
CID 174281333
N-(3-dibenzofuran-4-ylphenyl)-2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-N-(4-phenylphenyl)aniline
CID 174281803
N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-2-amine
CID 174281328
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
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 167322251
N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170014502
N-(2-dibenzofuran-4-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-3,4-diphenylaniline
CID 174281327
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine
CID 58510953
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118086600
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167322670

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine (CID 174281949) is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine is c1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3O5)c3cccc4c3oc3ccccc34)cc2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is HGHCIYDFPPEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-2-17-43-38(13-1)14-10-20-44(43)40-16-9-15-39(35-40)37-29-32-42(33-30-37)59(53-25-11-22-48-46-19-4-7-26-54(46)62-58(48)53)50-23-5-3-18-45(50)41-31-34-51-49(36-41)47-21-12-28-56-57(47)60(51)52-24-6-8-27-55(52)61-56/h1-36H.
What are the key properties of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine?
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 792.94 g/mol, XLogP of 16.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 174281949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).