N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine

C54H33NO3 — CID 171434862

IUPACN,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C54H33NO3/c1-2-10-36(11-3-1)41-30-31-47(54-53(41)46-14-6-9-17-50(46)58-54)55(39-24-18-34(19-25-39)37-22-28-44-42-12-4-7-15-48(42)56-51(44)32-37)40-26-20-35(21-27-40)38-23-29-45-43-13-5-8-16-49(43)57-52(45)33-38/h1-33H
InChIKeyZCYLFSFUOFEINE-UHFFFAOYSA-N
MW743.86 g/mol
LogP15.86
Rot. Bonds6

About N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine

N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine (PubChem CID 171434862) has the molecular formula C54H33NO3 and a molecular weight of 743.86 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
PubChem CID171434862
Molecular FormulaC54H33NO3
Molecular Weight743.86 g/mol
Exact Mass743.25
IUPAC NameN,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C54H33NO3/c1-2-10-36(11-3-1)41-30-31-47(54-53(41)46-14-6-9-17-50(46)58-54)55(39-24-18-34(19-25-39)37-22-28-44-42-12-4-7-15-48(42)56-51(44)32-37)40-26-20-35(21-27-40)38-23-29-45-43-13-5-8-16-49(43)57-52(45)33-38/h1-33H
InChIKeyZCYLFSFUOFEINE-UHFFFAOYSA-N
XLogP15.86
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.86
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434660
N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434963
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
CID 171434822
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435415
N-dibenzofuran-2-yl-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435497
4-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157296269
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
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
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820992
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 172501306

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine?
The IUPAC name of N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine (CID 171434862) is N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine.
What is the SMILES notation for N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine?
The canonical SMILES for N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3oc4ccccc4c23)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine?
The InChIKey is ZCYLFSFUOFEINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO3/c1-2-10-36(11-3-1)41-30-31-47(54-53(41)46-14-6-9-17-50(46)58-54)55(39-24-18-34(19-25-39)37-22-28-44-42-12-4-7-15-48(42)56-51(44)32-37)40-26-20-35(21-27-40)38-23-29-45-43-13-5-8-16-49(43)57-52(45)33-38/h1-33H.
What are the key properties of N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine?
N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine has a molecular weight of 743.86 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine is sourced from PubChem (CID 171434862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).