N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine

C54H36N2O2 — CID 71126918

IUPACN-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2cccc(-c3ccc(-c4cccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)c4)cc3)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C54H36N2O2/c1-3-17-41(18-4-1)55(49-27-13-25-47-45-23-7-9-29-51(45)57-53(47)49)43-21-11-15-39(35-43)37-31-33-38(34-32-37)40-16-12-22-44(36-40)56(42-19-5-2-6-20-42)50-28-14-26-48-46-24-8-10-30-52(46)58-54(48)50/h1-36H
InChIKeyINFQPVVJSORNAS-UHFFFAOYSA-N
MW744.89 g/mol
LogP15.76
Rot. Bonds8

About N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine

N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 71126918) has the molecular formula C54H36N2O2 and a molecular weight of 744.89 g/mol. Its IUPAC name is N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID71126918
Molecular FormulaC54H36N2O2
Molecular Weight744.89 g/mol
Exact Mass744.28
IUPAC NameN-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2cccc(-c3ccc(-c4cccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)c4)cc3)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C54H36N2O2/c1-3-17-41(18-4-1)55(49-27-13-25-47-45-23-7-9-29-51(45)57-53(47)49)43-21-11-15-39(35-43)37-31-33-38(34-32-37)40-16-12-22-44(36-40)56(42-19-5-2-6-20-42)50-28-14-26-48-46-24-8-10-30-52(46)58-54(48)50/h1-36H
InChIKeyINFQPVVJSORNAS-UHFFFAOYSA-N
XLogP15.76
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.89
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 90262621
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine (CID 71126918) is N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine is c1ccc(N(c2cccc(-c3ccc(-c4cccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)c4)cc3)c2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is INFQPVVJSORNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O2/c1-3-17-41(18-4-1)55(49-27-13-25-47-45-23-7-9-29-51(45)57-53(47)49)43-21-11-15-39(35-43)37-31-33-38(34-32-37)40-16-12-22-44(36-40)56(42-19-5-2-6-20-42)50-28-14-26-48-46-24-8-10-30-52(46)58-54(48)50/h1-36H.
What are the key properties of N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine?
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 744.89 g/mol, XLogP of 15.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 71126918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).