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

C56H36N2O2 — CID 167087101

IUPACN-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)c(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)c1
InChIInChI=1S/C56H36N2O2/c1-3-19-41-37(15-1)17-13-27-49(41)57(39-31-33-47-45-23-7-11-29-53(45)59-55(47)35-39)51-25-9-5-21-43(51)44-22-6-10-26-52(44)58(50-28-14-18-38-16-2-4-20-42(38)50)40-32-34-48-46-24-8-12-30-54(46)60-56(48)36-40/h1-36H
InChIKeyWYABSXOPHPNXOK-UHFFFAOYSA-N
MW768.92 g/mol
LogP16.40
Rot. Bonds7

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

N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 167087101) has the molecular formula C56H36N2O2 and a molecular weight of 768.92 g/mol. Its IUPAC name is N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
PubChem CID167087101
Molecular FormulaC56H36N2O2
Molecular Weight768.92 g/mol
Exact Mass768.28
IUPAC NameN-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)c(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)c1
InChIInChI=1S/C56H36N2O2/c1-3-19-41-37(15-1)17-13-27-49(41)57(39-31-33-47-45-23-7-11-29-53(45)59-55(47)35-39)51-25-9-5-21-43(51)44-22-6-10-26-52(44)58(50-28-14-18-38-16-2-4-20-42(38)50)40-32-34-48-46-24-8-12-30-54(46)60-56(48)36-40/h1-36H
InChIKeyWYABSXOPHPNXOK-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

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

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Related Compounds

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-(2-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170301571
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254
N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 167087100
N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167330637
N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
CID 167329955
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325582
N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502268
N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 131980093
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The IUPAC name of N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine (CID 167087101) is N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine.
What is the SMILES notation for N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The canonical SMILES for N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)c(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)c1.
What is the InChIKey of N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The InChIKey is WYABSXOPHPNXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O2/c1-3-19-41-37(15-1)17-13-27-49(41)57(39-31-33-47-45-23-7-11-29-53(45)59-55(47)35-39)51-25-9-5-21-43(51)44-22-6-10-26-52(44)58(50-28-14-18-38-16-2-4-20-42(38)50)40-32-34-48-46-24-8-12-30-54(46)60-56(48)36-40/h1-36H.
What are the key properties of N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-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-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 167087101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).