1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine

C56H63NO — CID 176596097

IUPAC1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3cc4c(c(-c5ccccc5)c3)C3(c5ccccc5O4)C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)cccc21
InChIInChI=1S/C56H63NO/c1-52(2)24-26-54(5,6)50-43(52)19-14-21-45(50)57(46-22-15-20-44-51(46)55(7,8)27-25-53(44,3)4)40-33-41(37-16-10-9-11-17-37)49-48(34-40)58-47-23-13-12-18-42(47)56(49)38-29-35-28-36(31-38)32-39(56)30-35/h9-23,33-36,38-39H,24-32H2,1-8H3
InChIKeyPQYHMTBSQZYPPM-UHFFFAOYSA-N
MW766.13 g/mol
LogP15.37
Rot. Bonds4

About 1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine

1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine (PubChem CID 176596097) has the molecular formula C56H63NO and a molecular weight of 766.13 g/mol. Its IUPAC name is 1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine.

Molecular Properties

Compound Name1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
PubChem CID176596097
Molecular FormulaC56H63NO
Molecular Weight766.13 g/mol
Exact Mass765.49
IUPAC Name1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3cc4c(c(-c5ccccc5)c3)C3(c5ccccc5O4)C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)cccc21
InChIInChI=1S/C56H63NO/c1-52(2)24-26-54(5,6)50-43(52)19-14-21-45(50)57(46-22-15-20-44-51(46)55(7,8)27-25-53(44,3)4)40-33-41(37-16-10-9-11-17-37)49-48(34-40)58-47-23-13-12-18-42(47)56(49)38-29-35-28-36(31-38)32-39(56)30-35/h9-23,33-36,38-39H,24-32H2,1-8H3
InChIKeyPQYHMTBSQZYPPM-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

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-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine
CID 176595119
N,8'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176594990
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
N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 176595774
5'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-4'-amine
CID 176595471
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
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-(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
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-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176594862

Frequently Asked Questions

What is the IUPAC name of 1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine?
The IUPAC name of 1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine (CID 176596097) is 1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine.
What is the SMILES notation for 1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine?
The canonical SMILES for 1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine is CC1(C)CCC(C)(C)c2c(N(c3cc4c(c(-c5ccccc5)c3)C3(c5ccccc5O4)C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)cccc21.
What is the InChIKey of 1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine?
The InChIKey is PQYHMTBSQZYPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H63NO/c1-52(2)24-26-54(5,6)50-43(52)19-14-21-45(50)57(46-22-15-20-44-51(46)55(7,8)27-25-53(44,3)4)40-33-41(37-16-10-9-11-17-37)49-48(34-40)58-47-23-13-12-18-42(47)56(49)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 1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine?
1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-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 1'-phenyl-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine is sourced from PubChem (CID 176596097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).