1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine

C56H63N — CID 176596028

IUPAC1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
SMILES[2H]c1c([2H])c2c(c([2H])c1N(c1ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc1)c1c([2H])c([2H])c3c(c1[2H])C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C56H63N/c1-52(2)23-25-54(5,6)50-33-42(18-21-47(50)52)57(43-19-22-48-51(34-43)55(7,8)26-24-53(48,3)4)41-16-13-37(14-17-41)38-15-20-45-44-11-9-10-12-46(44)56(49(45)32-38)39-28-35-27-36(30-39)31-40(56)29-35/h9-22,32-36,39-40H,23-31H2,1-8H3/i18D,19D,21D,22D,33D,34D
InChIKeyCQICRVQEVFHTJK-YRQGJVHMSA-N
MW756.16 g/mol
LogP15.24
Rot. Bonds4

About 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine

1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine (PubChem CID 176596028) has the molecular formula C56H63N and a molecular weight of 756.16 g/mol. Its IUPAC name is 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
PubChem CID176596028
Molecular FormulaC56H63N
Molecular Weight756.16 g/mol
Exact Mass755.53
IUPAC Name1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
SMILES[2H]c1c([2H])c2c(c([2H])c1N(c1ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc1)c1c([2H])c([2H])c3c(c1[2H])C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C56H63N/c1-52(2)23-25-54(5,6)50-33-42(18-21-47(50)52)57(43-19-22-48-51(34-43)55(7,8)26-24-53(48,3)4)41-16-13-37(14-17-41)38-15-20-45-44-11-9-10-12-46(44)56(49(45)32-38)39-28-35-27-36(30-39)31-40(56)29-35/h9-22,32-36,39-40H,23-31H2,1-8H3/i18D,19D,21D,22D,33D,34D
InChIKeyCQICRVQEVFHTJK-YRQGJVHMSA-N
XLogP15.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.16
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine with MolForge

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Related Compounds

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-[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
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
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
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-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-4-amine
CID 176595342
7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595459
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 176595499
N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595545
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine?
The IUPAC name of 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine (CID 176596028) is 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine is [2H]c1c([2H])c2c(c([2H])c1N(c1ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc1)c1c([2H])c([2H])c3c(c1[2H])C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C.
What is the InChIKey of 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine?
The InChIKey is CQICRVQEVFHTJK-YRQGJVHMSA-N. The full InChI is InChI=1S/C56H63N/c1-52(2)23-25-54(5,6)50-33-42(18-21-47(50)52)57(43-19-22-48-51(34-43)55(7,8)26-24-53(48,3)4)41-16-13-37(14-17-41)38-15-20-45-44-11-9-10-12-46(44)56(49(45)32-38)39-28-35-27-36(30-39)31-40(56)29-35/h9-22,32-36,39-40H,23-31H2,1-8H3/i18D,19D,21D,22D,33D,34D.
What are the key properties of 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine?
1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine has a molecular weight of 756.16 g/mol, XLogP of 15.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trideuterio-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 176596028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).