5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C55H38N2O — CID 118004741

IUPAC5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(C3(c4cccc5c4oc4ccccc45)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C55H38N2O/c1-5-20-40(21-6-1)56(41-22-7-2-8-23-41)44-36-39(37-45(38-44)57(42-24-9-3-10-25-42)43-26-11-4-12-27-43)55(50-32-16-13-28-46(50)47-29-14-17-33-51(47)55)52-34-19-31-49-48-30-15-18-35-53(48)58-54(49)52/h1-38H
InChIKeyYZLUWYDCGKCFIC-UHFFFAOYSA-N
MW742.92 g/mol
LogP14.89
Rot. Bonds8

About 5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 118004741) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID118004741
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(C3(c4cccc5c4oc4ccccc45)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C55H38N2O/c1-5-20-40(21-6-1)56(41-22-7-2-8-23-41)44-36-39(37-45(38-44)57(42-24-9-3-10-25-42)43-26-11-4-12-27-43)55(50-32-16-13-28-46(50)47-29-14-17-33-51(47)55)52-34-19-31-49-48-30-15-18-35-53(48)58-54(49)52/h1-38H
InChIKeyYZLUWYDCGKCFIC-UHFFFAOYSA-N
XLogP14.89
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-diphenylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 163589275
5-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-diphenylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 122552040
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 157370193
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381580
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022042

Frequently Asked Questions

What is the IUPAC name of 5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 118004741) is 5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(C3(c4cccc5c4oc4ccccc45)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is YZLUWYDCGKCFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-5-20-40(21-6-1)56(41-22-7-2-8-23-41)44-36-39(37-45(38-44)57(42-24-9-3-10-25-42)43-26-11-4-12-27-43)55(50-32-16-13-28-46(50)47-29-14-17-33-51(47)55)52-34-19-31-49-48-30-15-18-35-53(48)58-54(49)52/h1-38H.
What are the key properties of 5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 742.92 g/mol, XLogP of 14.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 118004741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).