N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline

C55H37NO — CID 138548317

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5Cc5ccccc5-6)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H37NO/c1-2-10-37(11-3-1)38-20-22-39(23-21-38)40-24-30-44(31-25-40)56(45-32-26-41(27-33-45)47-15-8-17-50-48-13-5-4-12-43(48)36-53(47)50)46-34-28-42(29-35-46)49-16-9-18-52-51-14-6-7-19-54(51)57-55(49)52/h1-35H,36H2
InChIKeyJHYRIKGBVDGSQF-UHFFFAOYSA-N
MW727.91 g/mol
LogP15.30
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 138548317) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
PubChem CID138548317
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5Cc5ccccc5-6)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H37NO/c1-2-10-37(11-3-1)38-20-22-39(23-21-38)40-24-30-44(31-25-40)56(45-32-26-41(27-33-45)47-15-8-17-50-48-13-5-4-12-43(48)36-53(47)50)46-34-28-42(29-35-46)49-16-9-18-52-51-14-6-7-19-54(51)57-55(49)52/h1-35H,36H2
InChIKeyJHYRIKGBVDGSQF-UHFFFAOYSA-N
XLogP15.30
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-3-(9H-fluoren-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146516973
4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 155609485
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919212
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-spiro[12H-indeno[1,2-c]fluorene-7,9'-fluorene]-1'-ylaniline
CID 130380212

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline (CID 138548317) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5Cc5ccccc5-6)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline?
The InChIKey is JHYRIKGBVDGSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-2-10-37(11-3-1)38-20-22-39(23-21-38)40-24-30-44(31-25-40)56(45-32-26-41(27-33-45)47-15-8-17-50-48-13-5-4-12-43(48)36-53(47)50)46-34-28-42(29-35-46)49-16-9-18-52-51-14-6-7-19-54(51)57-55(49)52/h1-35H,36H2.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 727.91 g/mol, XLogP of 15.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 138548317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).