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

C58H36N2O2 — CID 174281835

IUPACN-(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
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc3c(c2)c2cccc4c2n3-c2ccccc2O4)c1
InChIInChI=1S/C58H36N2O2/c1-2-17-43-37(13-1)14-10-20-44(43)39-15-9-16-42(35-39)59(41-32-29-38(30-33-41)46-21-11-23-49-47-19-4-7-26-54(47)62-58(46)49)51-24-5-3-18-45(51)40-31-34-52-50(36-40)48-22-12-28-56-57(48)60(52)53-25-6-8-27-55(53)61-56/h1-36H
InChIKeyJHEGAKNQMVKGLL-UHFFFAOYSA-N
MW792.94 g/mol
LogP16.41
Rot. Bonds6

About 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

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 (PubChem CID 174281835) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID174281835
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC NameN-(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
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc3c(c2)c2cccc4c2n3-c2ccccc2O4)c1
InChIInChI=1S/C58H36N2O2/c1-2-17-43-37(13-1)14-10-20-44(43)39-15-9-16-42(35-39)59(41-32-29-38(30-33-41)46-21-11-23-49-47-19-4-7-26-54(47)62-58(46)49)51-24-5-3-18-45(51)40-31-34-52-50(36-40)48-22-12-28-56-57(48)60(52)53-25-6-8-27-55(53)61-56/h1-36H
InChIKeyJHEGAKNQMVKGLL-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-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 with MolForge

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Related Compounds

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-(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-[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
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-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-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenanthren-2-ylaniline
CID 139544505
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 139544776
N-[3-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 139544547
N-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234338
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc3c(c2)c2cccc4c2n3-c2ccccc2O4)c1.
What is the InChIKey of 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?
The InChIKey is JHEGAKNQMVKGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-2-17-43-37(13-1)14-10-20-44(43)39-15-9-16-42(35-39)59(41-32-29-38(30-33-41)46-21-11-23-49-47-19-4-7-26-54(47)62-58(46)49)51-24-5-3-18-45(51)40-31-34-52-50(36-40)48-22-12-28-56-57(48)60(52)53-25-6-8-27-55(53)61-56/h1-36H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 174281835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).