N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine

C56H49NO — CID 168722758

IUPACN,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3ccc4c(c3)oc3ccccc34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C56H49NO/c1-4-10-49-43(7-1)45-16-13-40(29-51(45)55(49)36-21-32-19-33(23-36)24-37(55)22-32)57(42-15-18-48-47-9-3-6-12-53(47)58-54(48)31-42)41-14-17-46-44-8-2-5-11-50(44)56(52(46)30-41)38-25-34-20-35(27-38)28-39(56)26-34/h1-18,29-39H,19-28H2
InChIKeyUMOILKNZIYNMRB-UHFFFAOYSA-N
MW752.01 g/mol
LogP14.50
Rot. Bonds3

About N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine

N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine (PubChem CID 168722758) has the molecular formula C56H49NO and a molecular weight of 752.01 g/mol. Its IUPAC name is N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
PubChem CID168722758
Molecular FormulaC56H49NO
Molecular Weight752.01 g/mol
Exact Mass751.38
IUPAC NameN,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3ccc4c(c3)oc3ccccc34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C56H49NO/c1-4-10-49-43(7-1)45-16-13-40(29-51(45)55(49)36-21-32-19-33(23-36)24-37(55)22-32)57(42-15-18-48-47-9-3-6-12-53(47)58-54(48)31-42)41-14-17-46-44-8-2-5-11-50(44)56(52(46)30-41)38-25-34-20-35(27-38)28-39(56)26-34/h1-18,29-39H,19-28H2
InChIKeyUMOILKNZIYNMRB-UHFFFAOYSA-N
XLogP14.50
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.01
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine
CID 168722506
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393695
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
CID 155399634
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
CID 155402354
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-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine
CID 167056502
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573683
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-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399590
N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-2-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 161481713
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
CID 158482387

Frequently Asked Questions

What is the IUPAC name of N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine?
The IUPAC name of N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine (CID 168722758) is N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine.
What is the SMILES notation for N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine?
The canonical SMILES for N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3ccc4c(c3)oc3ccccc34)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine?
The InChIKey is UMOILKNZIYNMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H49NO/c1-4-10-49-43(7-1)45-16-13-40(29-51(45)55(49)36-21-32-19-33(23-36)24-37(55)22-32)57(42-15-18-48-47-9-3-6-12-53(47)58-54(48)31-42)41-14-17-46-44-8-2-5-11-50(44)56(52(46)30-41)38-25-34-20-35(27-38)28-39(56)26-34/h1-18,29-39H,19-28H2.
What are the key properties of N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine?
N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine has a molecular weight of 752.01 g/mol, XLogP of 14.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine is sourced from PubChem (CID 168722758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).