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

C56H36N2O2 — CID 167087100

IUPACN-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2ccccc23)c(-c2ccccc2N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C56H36N2O2/c1-3-15-39-33-41(27-25-37(39)13-1)57(43-29-31-49-47-19-7-11-23-53(47)59-55(49)35-43)51-21-9-5-17-45(51)46-18-6-10-22-52(46)58(42-28-26-38-14-2-4-16-40(38)34-42)44-30-32-50-48-20-8-12-24-54(48)60-56(50)36-44/h1-36H
InChIKeyBBDHKRLOLJASBN-UHFFFAOYSA-N
MW768.92 g/mol
LogP16.40
Rot. Bonds7

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

N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine (PubChem CID 167087100) 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-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
PubChem CID167087100
Molecular FormulaC56H36N2O2
Molecular Weight768.92 g/mol
Exact Mass768.28
IUPAC NameN-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2ccccc23)c(-c2ccccc2N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C56H36N2O2/c1-3-15-39-33-41(27-25-37(39)13-1)57(43-29-31-49-47-19-7-11-23-53(47)59-55(49)35-43)51-21-9-5-17-45(51)46-18-6-10-22-52(46)58(42-28-26-38-14-2-4-16-40(38)34-42)44-30-32-50-48-20-8-12-24-54(48)60-56(50)36-44/h1-36H
InChIKeyBBDHKRLOLJASBN-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

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325714
N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 167325549
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167324675
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
CID 166939347
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine?
The IUPAC name of N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine (CID 167087100) is N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine.
What is the SMILES notation for N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine?
The canonical SMILES for N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine is c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2ccccc23)c(-c2ccccc2N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine?
The InChIKey is BBDHKRLOLJASBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O2/c1-3-15-39-33-41(27-25-37(39)13-1)57(43-29-31-49-47-19-7-11-23-53(47)59-55(49)35-43)51-21-9-5-17-45(51)46-18-6-10-22-52(46)58(42-28-26-38-14-2-4-16-40(38)34-42)44-30-32-50-48-20-8-12-24-54(48)60-56(50)36-44/h1-36H.
What are the key properties of N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine?
N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-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-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine is sourced from PubChem (CID 167087100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).