N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine

C70H49NO — CID 170114508

IUPACN-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cccc32)c2ccccc21
InChIInChI=1S/C70H49NO/c1-69(2)59-37-14-16-39-61(59)70(62-40-17-15-38-60(62)69)58-36-13-10-33-57(58)67-63(70)41-22-43-65(67)71(48-26-20-25-47(45-48)50-34-21-35-56-55-32-12-19-44-66(55)72-68(50)56)64-42-18-11-31-54(64)53-30-9-8-29-52(53)51-28-7-6-27-49(51)46-23-4-3-5-24-46/h3-45H,1-2H3
InChIKeyAEDQGVRKRAXEBJ-UHFFFAOYSA-N
MW920.17 g/mol
LogP18.73
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine

N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine (PubChem CID 170114508) has the molecular formula C70H49NO and a molecular weight of 920.17 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
PubChem CID170114508
Molecular FormulaC70H49NO
Molecular Weight920.17 g/mol
Exact Mass919.38
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cccc32)c2ccccc21
InChIInChI=1S/C70H49NO/c1-69(2)59-37-14-16-39-61(59)70(62-40-17-15-38-60(62)69)58-36-13-10-33-57(58)67-63(70)41-22-43-65(67)71(48-26-20-25-47(45-48)50-34-21-35-56-55-32-12-19-44-66(55)72-68(50)56)64-42-18-11-31-54(64)53-30-9-8-29-52(53)51-28-7-6-27-49(51)46-23-4-3-5-24-46/h3-45H,1-2H3
InChIKeyAEDQGVRKRAXEBJ-UHFFFAOYSA-N
XLogP18.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.17
LogP ≤ 518.73
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-(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-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 170114783
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 142340770
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193296
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(3-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 161417767
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267145
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine (CID 170114508) is N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cccc32)c2ccccc21.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine?
The InChIKey is AEDQGVRKRAXEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49NO/c1-69(2)59-37-14-16-39-61(59)70(62-40-17-15-38-60(62)69)58-36-13-10-33-57(58)67-63(70)41-22-43-65(67)71(48-26-20-25-47(45-48)50-34-21-35-56-55-32-12-19-44-66(55)72-68(50)56)64-42-18-11-31-54(64)53-30-9-8-29-52(53)51-28-7-6-27-49(51)46-23-4-3-5-24-46/h3-45H,1-2H3.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine?
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine has a molecular weight of 920.17 g/mol, XLogP of 18.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine is sourced from PubChem (CID 170114508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).