N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine

C55H35NO2 — CID 122675382

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4-c4cccc5c4oc4ccccc45)c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C55H35NO2/c1-3-17-36(18-4-1)55(37-19-5-2-6-20-37)47-28-11-7-21-39(47)40-34-33-38(35-48(40)55)56(50-30-16-27-46-43-24-10-14-32-52(43)58-54(46)50)49-29-12-8-22-41(49)44-25-15-26-45-42-23-9-13-31-51(42)57-53(44)45/h1-35H
InChIKeyIYXSEHDFMSWMMS-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.99
Rot. Bonds6

About N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine

N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine (PubChem CID 122675382) has the molecular formula C55H35NO2 and a molecular weight of 741.89 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
PubChem CID122675382
Molecular FormulaC55H35NO2
Molecular Weight741.89 g/mol
Exact Mass741.27
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4-c4cccc5c4oc4ccccc45)c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C55H35NO2/c1-3-17-36(18-4-1)55(37-19-5-2-6-20-37)47-28-11-7-21-39(47)40-34-33-38(35-48(40)55)56(50-30-16-27-46-43-24-10-14-32-52(43)58-54(46)50)49-29-12-8-22-41(49)44-25-15-26-45-42-23-9-13-31-51(42)57-53(44)45/h1-35H
InChIKeyIYXSEHDFMSWMMS-UHFFFAOYSA-N
XLogP14.99
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309054
N,N-bis(9,9-diphenylfluoren-4-yl)tetraphenylen-2-amine;N-(9,9-diphenylfluoren-4-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-yltetraphenylen-2-amine
CID 167668523
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167325973
N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 122675407
9,9-diphenyl-N-(2-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)fluoren-2-amine
CID 171452110
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
CID 169022127
N-(2-dibenzothiophen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 176583430
N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine
CID 177121927
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287009
N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-phenyl-2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(2,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 158833569

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine (CID 122675382) is N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4-c4cccc5c4oc4ccccc45)c4cccc5c4oc4ccccc45)cc32)cc1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine?
The InChIKey is IYXSEHDFMSWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO2/c1-3-17-36(18-4-1)55(37-19-5-2-6-20-37)47-28-11-7-21-39(47)40-34-33-38(35-48(40)55)56(50-30-16-27-46-43-24-10-14-32-52(43)58-54(46)50)49-29-12-8-22-41(49)44-25-15-26-45-42-23-9-13-31-51(42)57-53(44)45/h1-35H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine has a molecular weight of 741.89 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 122675382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).