N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine

C32H35N — CID 166807941

IUPACN-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESCC(C)(C)c1ccc(Nc2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C32H35N/c1-31(2,3)22-11-13-25(14-12-22)33-29-10-6-9-28-30(29)26-7-4-5-8-27(26)32(28)23-16-20-15-21(18-23)19-24(32)17-20/h4-14,20-21,23-24,33H,15-19H2,1-3H3
InChIKeyRERYTSDWQHYQLR-UHFFFAOYSA-N
MW433.64 g/mol
LogP8.45
Rot. Bonds2

About N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine

N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 166807941) has the molecular formula C32H35N and a molecular weight of 433.64 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID166807941
Molecular FormulaC32H35N
Molecular Weight433.64 g/mol
Exact Mass433.28
IUPAC NameN-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESCC(C)(C)c1ccc(Nc2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C32H35N/c1-31(2,3)22-11-13-25(14-12-22)33-29-10-6-9-28-30(29)26-7-4-5-8-27(26)32(28)23-16-20-15-21(18-23)19-24(32)17-20/h4-14,20-21,23-24,33H,15-19H2,1-3H3
InChIKeyRERYTSDWQHYQLR-UHFFFAOYSA-N
XLogP8.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176594924
N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 155041617
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155409043
N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 155407255
N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
CID 155407627
4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene
CID 163498832
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
N-[3-(3-phenylphenyl)phenyl]-2-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)aniline
CID 167413755
4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole
CID 164940878

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine (CID 166807941) is N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine is CC(C)(C)c1ccc(Nc2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is RERYTSDWQHYQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N/c1-31(2,3)22-11-13-25(14-12-22)33-29-10-6-9-28-30(29)26-7-4-5-8-27(26)32(28)23-16-20-15-21(18-23)19-24(32)17-20/h4-14,20-21,23-24,33H,15-19H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 433.64 g/mol, XLogP of 8.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 166807941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).