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

C56H63NO — CID 176595027

IUPAC6'-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
SMILESCC1(C)CCC(C)(C)c2cc(N(c3cccc4c3Oc3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)ccc21
InChIInChI=1S/C56H63NO/c1-52(2)24-25-54(5,6)46-34-41(21-23-42(46)52)57(47-18-12-16-44-50(47)55(7,8)27-26-53(44,3)4)48-19-13-17-45-51(48)58-49-33-38(37-14-10-9-11-15-37)20-22-43(49)56(45)39-29-35-28-36(31-39)32-40(56)30-35/h9-23,33-36,39-40H,24-32H2,1-8H3
InChIKeyYBPRUBFCGJSBCQ-UHFFFAOYSA-N
MW766.13 g/mol
LogP15.37
Rot. Bonds4

About 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

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 (PubChem CID 176595027) has the molecular formula C56H63NO and a molecular weight of 766.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6'-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
PubChem CID176595027
Molecular FormulaC56H63NO
Molecular Weight766.13 g/mol
Exact Mass765.49
IUPAC Name6'-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
SMILESCC1(C)CCC(C)(C)c2cc(N(c3cccc4c3Oc3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)ccc21
InChIInChI=1S/C56H63NO/c1-52(2)24-25-54(5,6)46-34-41(21-23-42(46)52)57(47-18-12-16-44-50(47)55(7,8)27-26-53(44,3)4)48-19-13-17-45-51(48)58-49-33-38(37-14-10-9-11-15-37)20-22-43(49)56(45)39-29-35-28-36(31-39)32-40(56)30-35/h9-23,33-36,39-40H,24-32H2,1-8H3
InChIKeyYBPRUBFCGJSBCQ-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 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 with MolForge

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Related Compounds

6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-thioxanthene]-3'-amine
CID 176595192
7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595541
5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine
CID 176595471
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176595278
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-(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'-fluorene]-4'-amine
CID 176595228
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
7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-thioxanthene]-3'-amine
CID 176595404
6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 176595869
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
6'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-thioxanthene]-4'-amine
CID 176595825

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2cc(N(c3cccc4c3Oc3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)ccc21.
What is the InChIKey of 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?
The InChIKey is YBPRUBFCGJSBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H63NO/c1-52(2)24-25-54(5,6)46-34-41(21-23-42(46)52)57(47-18-12-16-44-50(47)55(7,8)27-26-53(44,3)4)48-19-13-17-45-51(48)58-49-33-38(37-14-10-9-11-15-37)20-22-43(49)56(45)39-29-35-28-36(31-39)32-40(56)30-35/h9-23,33-36,39-40H,24-32H2,1-8H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 176595027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).