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

C67H44N2O — CID 135166826

IUPACN-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C67H44N2O/c1-3-22-45(23-4-1)48-26-7-8-28-50(48)51-29-11-17-37-60(51)69(59-36-16-10-27-49(59)46-42-43-65-54(44-46)52-30-12-20-41-64(52)70-65)63-40-21-35-58-66(63)53-31-9-13-32-55(53)67(58)56-33-14-18-38-61(56)68(47-24-5-2-6-25-47)62-39-19-15-34-57(62)67/h1-44H
InChIKeyAISHNXRIWCYOPA-UHFFFAOYSA-N
MW893.10 g/mol
LogP18.20
Rot. Bonds7

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

N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 135166826) has the molecular formula C67H44N2O and a molecular weight of 893.10 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
PubChem CID135166826
Molecular FormulaC67H44N2O
Molecular Weight893.10 g/mol
Exact Mass892.35
IUPAC NameN-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C67H44N2O/c1-3-22-45(23-4-1)48-26-7-8-28-50(48)51-29-11-17-37-60(51)69(59-36-16-10-27-49(59)46-42-43-65-54(44-46)52-30-12-20-41-64(52)70-65)63-40-21-35-58-66(63)53-31-9-13-32-55(53)67(58)56-33-14-18-38-61(56)68(47-24-5-2-6-25-47)62-39-19-15-34-57(62)67/h1-44H
InChIKeyAISHNXRIWCYOPA-UHFFFAOYSA-N
XLogP18.20
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.10
LogP ≤ 518.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166750
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166787
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166740
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166841
N-[4-[8-[3-[4'-(4-dibenzofuran-2-yl-N-[2-(4-phenylphenyl)phenyl]anilino)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]dibenzothiophen-4-yl]phenyl]-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155296977
N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166847
N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166793
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166771
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166676
N-naphthalen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 135166872
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166630

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (CID 135166826) is N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The canonical SMILES for N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The InChIKey is AISHNXRIWCYOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2O/c1-3-22-45(23-4-1)48-26-7-8-28-50(48)51-29-11-17-37-60(51)69(59-36-16-10-27-49(59)46-42-43-65-54(44-46)52-30-12-20-41-64(52)70-65)63-40-21-35-58-66(63)53-31-9-13-32-55(53)67(58)56-33-14-18-38-61(56)68(47-24-5-2-6-25-47)62-39-19-15-34-57(62)67/h1-44H.
What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine has a molecular weight of 893.10 g/mol, XLogP of 18.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 135166826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).