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

C56H63NO — CID 176595694

IUPAC5,5,8,8-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
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4cccc5c4Oc4ccccc4C54C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21
InChIInChI=1S/C56H63NO/c1-52(2)24-26-54(5,6)48-33-41(20-22-44(48)52)57(42-21-23-45-49(34-42)55(7,8)27-25-53(45,3)4)40-18-16-37(17-19-40)43-12-11-14-47-51(43)58-50-15-10-9-13-46(50)56(47)38-29-35-28-36(31-38)32-39(56)30-35/h9-23,33-36,38-39H,24-32H2,1-8H3
InChIKeyWSBBDNAZQXGQMM-UHFFFAOYSA-N
MW766.13 g/mol
LogP15.37
Rot. Bonds4

About 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

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 (PubChem CID 176595694) has the molecular formula C56H63NO and a molecular weight of 766.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,5,8,8-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
PubChem CID176595694
Molecular FormulaC56H63NO
Molecular Weight766.13 g/mol
Exact Mass765.49
IUPAC Name5,5,8,8-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
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4cccc5c4Oc4ccccc4C54C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21
InChIInChI=1S/C56H63NO/c1-52(2)24-26-54(5,6)48-33-41(20-22-44(48)52)57(42-21-23-45-49(34-42)55(7,8)27-25-53(45,3)4)40-18-16-37(17-19-40)43-12-11-14-47-51(43)58-50-15-10-9-13-46(50)56(47)38-29-35-28-36(31-38)32-39(56)30-35/h9-23,33-36,38-39H,24-32H2,1-8H3
InChIKeyWSBBDNAZQXGQMM-UHFFFAOYSA-N
XLogP15.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.13
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N-(4-spiro[adamantane-2,9'-xanthene]-4'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzothiophen-2-amine
CID 176595326
5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine
CID 176595119
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
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-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176594862
N-(4-naphthalen-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176594666
9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 176594755
N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176594820
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 176595499
6'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine
CID 176595027
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176594795
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine
CID 176595135

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4cccc5c4Oc4ccccc4C54C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21.
What is the InChIKey of 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?
The InChIKey is WSBBDNAZQXGQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H63NO/c1-52(2)24-26-54(5,6)48-33-41(20-22-44(48)52)57(42-21-23-45-49(34-42)55(7,8)27-25-53(45,3)4)40-18-16-37(17-19-40)43-12-11-14-47-51(43)58-50-15-10-9-13-46(50)56(47)38-29-35-28-36(31-38)32-39(56)30-35/h9-23,33-36,38-39H,24-32H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 766.13 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176595694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).