N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine

C61H49NO — CID 170217258

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c21
InChIInChI=1S/C61H49NO/c1-60(2)52-23-7-3-17-46(52)49-21-12-22-50(59(49)60)48-18-5-9-25-55(48)62(42-15-11-14-39(35-42)44-20-13-27-57-58(44)51-19-6-10-26-56(51)63-57)43-28-29-47-45-16-4-8-24-53(45)61(54(47)36-43)40-31-37-30-38(33-40)34-41(61)32-37/h3-29,35-38,40-41H,30-34H2,1-2H3
InChIKeyNWHUPEJWIAZJPF-UHFFFAOYSA-N
MW812.07 g/mol
LogP16.42
Rot. Bonds5

About N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine

N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 170217258) has the molecular formula C61H49NO and a molecular weight of 812.07 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID170217258
Molecular FormulaC61H49NO
Molecular Weight812.07 g/mol
Exact Mass811.38
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c21
InChIInChI=1S/C61H49NO/c1-60(2)52-23-7-3-17-46(52)49-21-12-22-50(59(49)60)48-18-5-9-25-55(48)62(42-15-11-14-39(35-42)44-20-13-27-57-58(44)51-19-6-10-26-56(51)63-57)43-28-29-47-45-16-4-8-24-53(45)61(54(47)36-43)40-31-37-30-38(33-40)34-41(61)32-37/h3-29,35-38,40-41H,30-34H2,1-2H3
InChIKeyNWHUPEJWIAZJPF-UHFFFAOYSA-N
XLogP16.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.07
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170215998
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216623
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzofuran-1-amine
CID 170216548
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenanthren-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217241
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217331
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 170218059
N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-yldibenzofuran-1-amine
CID 168722735
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216650
CID 159290287
CID 159290287
N,N-bis(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine
CID 158937310
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170216421

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine (CID 170217258) is N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c21.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is NWHUPEJWIAZJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49NO/c1-60(2)52-23-7-3-17-46(52)49-21-12-22-50(59(49)60)48-18-5-9-25-55(48)62(42-15-11-14-39(35-42)44-20-13-27-57-58(44)51-19-6-10-26-56(51)63-57)43-28-29-47-45-16-4-8-24-53(45)61(54(47)36-43)40-31-37-30-38(33-40)34-41(61)32-37/h3-29,35-38,40-41H,30-34H2,1-2H3.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine?
N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 812.07 g/mol, XLogP of 16.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).