N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine

C64H43NO — CID 170665817

IUPACN-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccc(-c5ccccc5)c5ccccc45)c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C64H43NO/c1-5-18-44(19-6-1)47-32-34-49(35-33-47)55-29-17-30-61(64(55)50-36-37-59-58-28-15-16-31-62(58)66-63(59)43-50)65(60-39-38-54(48-24-11-4-12-25-48)56-26-13-14-27-57(56)60)53-41-51(45-20-7-2-8-21-45)40-52(42-53)46-22-9-3-10-23-46/h1-43H
InChIKeyWJJPZYFBKKDAKK-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

About N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine

N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine (PubChem CID 170665817) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine
PubChem CID170665817
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccc(-c5ccccc5)c5ccccc45)c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C64H43NO/c1-5-18-44(19-6-1)47-32-34-49(35-33-47)55-29-17-30-61(64(55)50-36-37-59-58-28-15-16-31-62(58)66-63(59)43-50)65(60-39-38-54(48-24-11-4-12-25-48)56-26-13-14-27-57(56)60)53-41-51(45-20-7-2-8-21-45)40-52(42-53)46-22-9-3-10-23-46/h1-43H
InChIKeyWJJPZYFBKKDAKK-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280900
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170666319
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
CID 129085302
3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170665611
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170666163
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline
CID 121341024
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269

Frequently Asked Questions

What is the IUPAC name of N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine?
The IUPAC name of N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine (CID 170665817) is N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine?
The canonical SMILES for N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine is c1ccc(-c2ccc(-c3cccc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccc(-c5ccccc5)c5ccccc45)c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine?
The InChIKey is WJJPZYFBKKDAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-5-18-44(19-6-1)47-32-34-49(35-33-47)55-29-17-30-61(64(55)50-36-37-59-58-28-15-16-31-62(58)66-63(59)43-50)65(60-39-38-54(48-24-11-4-12-25-48)56-26-13-14-27-57(56)60)53-41-51(45-20-7-2-8-21-45)40-52(42-53)46-22-9-3-10-23-46/h1-43H.
What are the key properties of N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine?
N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine has a molecular weight of 842.05 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine is sourced from PubChem (CID 170665817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).