5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine

C56H63NO — CID 176595471

IUPAC5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3cccc4c3Oc3c(-c5ccccc5)cccc3C43C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)cccc21
InChIInChI=1S/C56H63NO/c1-52(2)26-28-54(5,6)48-41(52)19-13-23-45(48)57(46-24-14-20-42-49(46)55(7,8)29-27-53(42,3)4)47-25-15-22-44-51(47)58-50-40(37-16-10-9-11-17-37)18-12-21-43(50)56(44)38-31-35-30-36(33-38)34-39(56)32-35/h9-25,35-36,38-39H,26-34H2,1-8H3
InChIKeyHEHVOOUUEUKPIV-UHFFFAOYSA-N
MW766.13 g/mol
LogP15.37
Rot. Bonds4

About 5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine

5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine (PubChem CID 176595471) has the molecular formula C56H63NO and a molecular weight of 766.13 g/mol. Its IUPAC name is 5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine.

Molecular Properties

Compound Name5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine
PubChem CID176595471
Molecular FormulaC56H63NO
Molecular Weight766.13 g/mol
Exact Mass765.49
IUPAC Name5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3cccc4c3Oc3c(-c5ccccc5)cccc3C43C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)cccc21
InChIInChI=1S/C56H63NO/c1-52(2)26-28-54(5,6)48-41(52)19-13-23-45(48)57(46-24-14-20-42-49(46)55(7,8)29-27-53(42,3)4)47-25-15-22-44-51(47)58-50-40(37-16-10-9-11-17-37)18-12-21-43(50)56(44)38-31-35-30-36(33-38)34-39(56)32-35/h9-25,35-36,38-39H,26-34H2,1-8H3
InChIKeyHEHVOOUUEUKPIV-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

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Related Compounds

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
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
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176595371
5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176596011
N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176594990
1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176596097
N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 176595774
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595609
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
6'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-thioxanthene]-3'-amine
CID 176595192
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176595278

Frequently Asked Questions

What is the IUPAC name of 5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine?
The IUPAC name of 5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine (CID 176595471) is 5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine.
What is the SMILES notation for 5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine?
The canonical SMILES for 5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine is CC1(C)CCC(C)(C)c2c(N(c3cccc4c3Oc3c(-c5ccccc5)cccc3C43C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)cccc21.
What is the InChIKey of 5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine?
The InChIKey is HEHVOOUUEUKPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H63NO/c1-52(2)26-28-54(5,6)48-41(52)19-13-23-45(48)57(46-24-14-20-42-49(46)55(7,8)29-27-53(42,3)4)47-25-15-22-44-51(47)58-50-40(37-16-10-9-11-17-37)18-12-21-43(50)56(44)38-31-35-30-36(33-38)34-39(56)32-35/h9-25,35-36,38-39H,26-34H2,1-8H3.
What are the key properties of 5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine?
5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-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 5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine is sourced from PubChem (CID 176595471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).