N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline

C71H43NO — CID 142340770

IUPACN-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
SMILESc1cc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C71H43NO/c1-2-20-51-50(19-1)57-28-15-29-58-52(41-42-59(51)68(57)58)55-23-6-11-35-66(55)72(46-39-37-44(38-40-46)49-27-14-30-60-56-24-7-12-36-67(56)73-70(49)60)47-18-13-17-45(43-47)48-26-16-34-65-69(48)61-25-5-10-33-64(61)71(65)62-31-8-3-21-53(62)54-22-4-9-32-63(54)71/h1-43H
InChIKeyOWZSLYSDKVDJCJ-UHFFFAOYSA-N
MW926.13 g/mol
LogP19.20
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline (PubChem CID 142340770) has the molecular formula C71H43NO and a molecular weight of 926.13 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
PubChem CID142340770
Molecular FormulaC71H43NO
Molecular Weight926.13 g/mol
Exact Mass925.33
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
SMILESc1cc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C71H43NO/c1-2-20-51-50(19-1)57-28-15-29-58-52(41-42-59(51)68(57)58)55-23-6-11-35-66(55)72(46-39-37-44(38-40-46)49-27-14-30-60-56-24-7-12-36-67(56)73-70(49)60)47-18-13-17-45(43-47)48-26-16-34-65-69(48)61-25-5-10-33-64(61)71(65)62-31-8-3-21-53(62)54-22-4-9-32-63(54)71/h1-43H
InChIKeyOWZSLYSDKVDJCJ-UHFFFAOYSA-N
XLogP19.20
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.13
LogP ≤ 519.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 170114508
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267145
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325270
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-N-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-diphenyl-N,N-bis(3-phenylphenyl)fluoren-2-amine;N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 157397813
N,N-bis(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 161119301
N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139499277
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
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline (CID 142340770) is N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline is c1cc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline?
The InChIKey is OWZSLYSDKVDJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43NO/c1-2-20-51-50(19-1)57-28-15-29-58-52(41-42-59(51)68(57)58)55-23-6-11-35-66(55)72(46-39-37-44(38-40-46)49-27-14-30-60-56-24-7-12-36-67(56)73-70(49)60)47-18-13-17-45(43-47)48-26-16-34-65-69(48)61-25-5-10-33-64(61)71(65)62-31-8-3-21-53(62)54-22-4-9-32-63(54)71/h1-43H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline has a molecular weight of 926.13 g/mol, XLogP of 19.20, 6 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)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline is sourced from PubChem (CID 142340770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).