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

C46H53N — CID 176594924

IUPACN-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESCC(C)(C)c1ccc(N(c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)c2cccc3c2C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C46H53N/c1-43(2,3)31-18-20-34(21-19-31)47(40-17-11-15-38-42(40)45(6,7)23-22-44(38,4)5)39-16-10-14-37-41(39)35-12-8-9-13-36(35)46(37)32-25-29-24-30(27-32)28-33(46)26-29/h8-21,29-30,32-33H,22-28H2,1-7H3
InChIKeyMUNQQTAVAAHWEU-UHFFFAOYSA-N
MW619.94 g/mol
LogP12.53
Rot. Bonds3

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

N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 176594924) has the molecular formula C46H53N and a molecular weight of 619.94 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID176594924
Molecular FormulaC46H53N
Molecular Weight619.94 g/mol
Exact Mass619.42
IUPAC NameN-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESCC(C)(C)c1ccc(N(c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)c2cccc3c2C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C46H53N/c1-43(2,3)31-18-20-34(21-19-31)47(40-17-11-15-38-42(40)45(6,7)23-22-44(38,4)5)39-16-10-14-37-41(39)35-12-8-9-13-36(35)46(37)32-25-29-24-30(27-32)28-33(46)26-29/h8-21,29-30,32-33H,22-28H2,1-7H3
InChIKeyMUNQQTAVAAHWEU-UHFFFAOYSA-N
XLogP12.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.94
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176596121
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595101
N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595500
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
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
N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 176595774
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
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-[4-(1-adamantyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595348
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

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine (CID 176594924) is N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine is CC(C)(C)c1ccc(N(c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)c2cccc3c2C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is MUNQQTAVAAHWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H53N/c1-43(2,3)31-18-20-34(21-19-31)47(40-17-11-15-38-42(40)45(6,7)23-22-44(38,4)5)39-16-10-14-37-41(39)35-12-8-9-13-36(35)46(37)32-25-29-24-30(27-32)28-33(46)26-29/h8-21,29-30,32-33H,22-28H2,1-7H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 619.94 g/mol, XLogP of 12.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 176594924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).