N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine

C48H47NO2 — CID 176595146

IUPACN-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C3(c5ccccc5O4)C4CC5CC(C4)CC3C5)c3cccc4c3oc3ccccc34)ccc21
InChIInChI=1S/C48H47NO2/c1-46(2)20-21-47(3,4)39-27-33(16-18-37(39)46)49(41-13-9-11-36-35-10-5-7-14-42(35)51-45(36)41)34-17-19-44-40(28-34)48(38-12-6-8-15-43(38)50-44)31-23-29-22-30(25-31)26-32(48)24-29/h5-19,27-32H,20-26H2,1-4H3
InChIKeyIIFZNEKVRUNZFX-UHFFFAOYSA-N
MW669.91 g/mol
LogP13.25
Rot. Bonds3

About N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine

N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine (PubChem CID 176595146) has the molecular formula C48H47NO2 and a molecular weight of 669.91 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine
PubChem CID176595146
Molecular FormulaC48H47NO2
Molecular Weight669.91 g/mol
Exact Mass669.36
IUPAC NameN-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C3(c5ccccc5O4)C4CC5CC(C4)CC3C5)c3cccc4c3oc3ccccc34)ccc21
InChIInChI=1S/C48H47NO2/c1-46(2)20-21-47(3,4)39-27-33(16-18-37(39)46)49(41-13-9-11-36-35-10-5-7-14-42(35)51-45(36)41)34-17-19-44-40(28-34)48(38-12-6-8-15-43(38)50-44)31-23-29-22-30(25-31)26-32(48)24-29/h5-19,27-32H,20-26H2,1-4H3
InChIKeyIIFZNEKVRUNZFX-UHFFFAOYSA-N
XLogP13.25
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.91
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-2'-amine
CID 176595861
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176594862
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176595278
N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine
CID 176595859
N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176596067
5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176595004
5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-xanthene]-4'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
CID 176595694
N-(1',2',3',5',6',7',8'-heptadeuteriospiro[adamantane-2,9'-fluorene]-4'-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-2-amine
CID 176595878
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176594814
5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176596088
N-naphthalen-1-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-thioxanthene]-2'-amine
CID 176595663
N-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)dibenzofuran-1-amine
CID 176594821

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine (CID 176595146) is N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C3(c5ccccc5O4)C4CC5CC(C4)CC3C5)c3cccc4c3oc3ccccc34)ccc21.
What is the InChIKey of N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine?
The InChIKey is IIFZNEKVRUNZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H47NO2/c1-46(2)20-21-47(3,4)39-27-33(16-18-37(39)46)49(41-13-9-11-36-35-10-5-7-14-42(35)51-45(36)41)34-17-19-44-40(28-34)48(38-12-6-8-15-43(38)50-44)31-23-29-22-30(25-31)26-32(48)24-29/h5-19,27-32H,20-26H2,1-4H3.
What are the key properties of N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine?
N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine has a molecular weight of 669.91 g/mol, XLogP of 13.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine is sourced from PubChem (CID 176595146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).