N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C61H39NO — CID 129267145

IUPACN-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C61H39NO/c1-3-17-40(18-4-1)41-33-36-44(37-34-41)62(57-39-43(35-38-45(57)42-19-5-2-6-20-42)46-25-15-26-50-49-23-10-14-32-58(49)63-60(46)50)56-31-16-30-55-59(56)51-24-9-13-29-54(51)61(55)52-27-11-7-21-47(52)48-22-8-12-28-53(48)61/h1-39H
InChIKeyXKTZRHMGWLENPV-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.40
Rot. Bonds6

About N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 129267145) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID129267145
Molecular FormulaC61H39NO
Molecular Weight801.99 g/mol
Exact Mass801.30
IUPAC NameN-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C61H39NO/c1-3-17-40(18-4-1)41-33-36-44(37-34-41)62(57-39-43(35-38-45(57)42-19-5-2-6-20-42)46-25-15-26-50-49-23-10-14-32-58(49)63-60(46)50)56-31-16-30-55-59(56)51-24-9-13-29-54(51)61(55)52-27-11-7-21-47(52)48-22-8-12-28-53(48)61/h1-39H
InChIKeyXKTZRHMGWLENPV-UHFFFAOYSA-N
XLogP16.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-(4-dibenzofuran-4-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476214
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 160841944
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325270
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165

Frequently Asked Questions

What is the IUPAC name of N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 129267145) is N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2ccc(N(c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is XKTZRHMGWLENPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-3-17-40(18-4-1)41-33-36-44(37-34-41)62(57-39-43(35-38-45(57)42-19-5-2-6-20-42)46-25-15-26-50-49-23-10-14-32-58(49)63-60(46)50)56-31-16-30-55-59(56)51-24-9-13-29-54(51)61(55)52-27-11-7-21-47(52)48-22-8-12-28-53(48)61/h1-39H.
What are the key properties of N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 801.99 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 129267145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).