1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

C54H35NO2 — CID 153447940

IUPAC1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)c5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-12-36(13-4-1)38-22-24-39(25-23-38)41-28-32-43(33-29-41)55(42-30-26-40(27-31-42)37-14-5-2-6-15-37)49-35-34-45(52-48-17-8-10-21-51(48)57-54(49)52)47-19-11-18-46-44-16-7-9-20-50(44)56-53(46)47/h1-35H
InChIKeyBXJRYYDZQBXXEB-UHFFFAOYSA-N
MW729.88 g/mol
LogP15.62
Rot. Bonds7

About 1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 153447940) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID153447940
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC Name1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)c5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-12-36(13-4-1)38-22-24-39(25-23-38)41-28-32-43(33-29-41)55(42-30-26-40(27-31-42)37-14-5-2-6-15-37)49-35-34-45(52-48-17-8-10-21-51(48)57-54(49)52)47-19-11-18-46-44-16-7-9-20-50(44)56-53(46)47/h1-35H
InChIKeyBXJRYYDZQBXXEB-UHFFFAOYSA-N
XLogP15.62
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
1-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-4-amine;1-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)dibenzofuran-4-amine;1-dibenzofuran-4-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 160558058
4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176824526
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918
N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine
CID 171435510
4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510698
N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434963
N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434862
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 171434890
N-dibenzofuran-2-yl-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435497

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of 1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 153447940) is 1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for 1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for 1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)c5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of 1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is BXJRYYDZQBXXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-3-12-36(13-4-1)38-22-24-39(25-23-38)41-28-32-43(33-29-41)55(42-30-26-40(27-31-42)37-14-5-2-6-15-37)49-35-34-45(52-48-17-8-10-21-51(48)57-54(49)52)47-19-11-18-46-44-16-7-9-20-50(44)56-53(46)47/h1-35H.
What are the key properties of 1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 729.88 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 153447940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).