N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine

C58H41NO — CID 142480974

IUPACN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)c2ccccc21
InChIInChI=1S/C58H41NO/c1-57(2)48-23-9-11-25-50(48)58(51-26-12-10-24-49(51)57)47-22-8-6-19-46(47)55-52(58)27-15-28-53(55)59(41-34-30-39(31-35-41)38-16-4-3-5-17-38)42-36-32-40(33-37-42)43-20-14-21-45-44-18-7-13-29-54(44)60-56(43)45/h3-37H,1-2H3
InChIKeyOQHNGWTWMMWING-UHFFFAOYSA-N
MW767.97 g/mol
LogP15.39
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine (PubChem CID 142480974) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
PubChem CID142480974
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)c2ccccc21
InChIInChI=1S/C58H41NO/c1-57(2)48-23-9-11-25-50(48)58(51-26-12-10-24-49(51)57)47-22-8-6-19-46(47)55-52(58)27-15-28-53(55)59(41-34-30-39(31-35-41)38-16-4-3-5-17-38)42-36-32-40(33-37-42)43-20-14-21-45-44-18-7-13-29-54(44)60-56(43)45/h3-37H,1-2H3
InChIKeyOQHNGWTWMMWING-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
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-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267145
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 158201321
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372912
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
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-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine (CID 142480974) is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)c2ccccc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
The InChIKey is OQHNGWTWMMWING-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-57(2)48-23-9-11-25-50(48)58(51-26-12-10-24-49(51)57)47-22-8-6-19-46(47)55-52(58)27-15-28-53(55)59(41-34-30-39(31-35-41)38-16-4-3-5-17-38)42-36-32-40(33-37-42)43-20-14-21-45-44-18-7-13-29-54(44)60-56(43)45/h3-37H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine has a molecular weight of 767.97 g/mol, XLogP of 15.39, 5 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)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine is sourced from PubChem (CID 142480974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).