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

C52H32N2O2 — CID 174281328

IUPACN-(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
SMILESc1cc(-c2ccc3c(c2)c2cccc4c2n3-c2ccccc2O4)cc(N(c2ccc3ccccc3c2)c2ccccc2-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H32N2O2/c1-2-13-34-30-38(28-26-33(34)12-1)53(45-21-5-3-16-39(45)42-19-10-20-43-40-17-4-7-23-48(40)56-52(42)43)37-15-9-14-35(31-37)36-27-29-46-44(32-36)41-18-11-25-50-51(41)54(46)47-22-6-8-24-49(47)55-50/h1-32H
InChIKeyCRBPEXHYJCMBNW-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.75
Rot. Bonds5

About 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

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 (PubChem CID 174281328) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID174281328
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC NameN-(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
SMILESc1cc(-c2ccc3c(c2)c2cccc4c2n3-c2ccccc2O4)cc(N(c2ccc3ccccc3c2)c2ccccc2-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H32N2O2/c1-2-13-34-30-38(28-26-33(34)12-1)53(45-21-5-3-16-39(45)42-19-10-20-43-40-17-4-7-23-48(40)56-52(42)43)37-15-9-14-35(31-37)36-27-29-46-44(32-36)41-18-11-25-50-51(41)54(46)47-22-6-8-24-49(47)55-50/h1-32H
InChIKeyCRBPEXHYJCMBNW-UHFFFAOYSA-N
XLogP14.75
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-(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-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)-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-[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-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167324791
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544943
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139545256
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544828
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
2-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline;2-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;2-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)aniline
CID 159924494
3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(3-phenanthren-9-ylphenyl)aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenanthren-9-ylaniline
CID 159843881

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3c(c2)c2cccc4c2n3-c2ccccc2O4)cc(N(c2ccc3ccccc3c2)c2ccccc2-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 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?
The InChIKey is CRBPEXHYJCMBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-2-13-34-30-38(28-26-33(34)12-1)53(45-21-5-3-16-39(45)42-19-10-20-43-40-17-4-7-23-48(40)56-52(42)43)37-15-9-14-35(31-37)36-27-29-46-44(32-36)41-18-11-25-50-51(41)54(46)47-22-6-8-24-49(47)55-50/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 716.84 g/mol, XLogP of 14.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174281328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).