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

C52H59N — CID 176595348

IUPACN-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cccc21
InChIInChI=1S/C52H59N/c1-49(2)18-19-50(3,4)48-45(49)10-7-11-47(48)53(40-14-12-37(13-15-40)51-29-34-21-35(30-51)23-36(22-34)31-51)41-16-17-43-42-8-5-6-9-44(42)52(46(43)28-41)38-24-32-20-33(26-38)27-39(52)25-32/h5-17,28,32-36,38-39H,18-27,29-31H2,1-4H3
InChIKeyMMXIWDSQTNTJAQ-UHFFFAOYSA-N
MW698.05 g/mol
LogP13.70
Rot. Bonds4

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

N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 176595348) has the molecular formula C52H59N and a molecular weight of 698.05 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID176595348
Molecular FormulaC52H59N
Molecular Weight698.05 g/mol
Exact Mass697.46
IUPAC NameN-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cccc21
InChIInChI=1S/C52H59N/c1-49(2)18-19-50(3,4)48-45(49)10-7-11-47(48)53(40-14-12-37(13-15-40)51-29-34-21-35(30-51)23-36(22-34)31-51)41-16-17-43-42-8-5-6-9-44(42)52(46(43)28-41)38-24-32-20-33(26-38)27-39(52)25-32/h5-17,28,32-36,38-39H,18-27,29-31H2,1-4H3
InChIKeyMMXIWDSQTNTJAQ-UHFFFAOYSA-N
XLogP13.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.05
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-spiro[adamantane-2,9'-fluorene]-2'-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)dibenzothiophen-1-amine
CID 176594932
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
N-(9,9-dimethylfluoren-4-yl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595472
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
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
N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176596082
5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176596011
N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 176595774
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
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-thioxanthene]-4'-amine
CID 176594745
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 176595348) is N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is CC1(C)CCC(C)(C)c2c(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cccc21.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is MMXIWDSQTNTJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H59N/c1-49(2)18-19-50(3,4)48-45(49)10-7-11-47(48)53(40-14-12-37(13-15-40)51-29-34-21-35(30-51)23-36(22-34)31-51)41-16-17-43-42-8-5-6-9-44(42)52(46(43)28-41)38-24-32-20-33(26-38)27-39(52)25-32/h5-17,28,32-36,38-39H,18-27,29-31H2,1-4H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 698.05 g/mol, XLogP of 13.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 176595348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).