N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine

C33H37N — CID 155041617

IUPACN-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCN(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C33H37N/c1-32(2,3)23-9-11-26(12-10-23)34(4)27-13-14-31-29(20-27)28-7-5-6-8-30(28)33(31)24-16-21-15-22(18-24)19-25(33)17-21/h5-14,20-22,24-25H,15-19H2,1-4H3
InChIKeyMABSCXZRDWJHMF-UHFFFAOYSA-N
MW447.67 g/mol
LogP8.47
Rot. Bonds2

About N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine

N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 155041617) has the molecular formula C33H37N and a molecular weight of 447.67 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID155041617
Molecular FormulaC33H37N
Molecular Weight447.67 g/mol
Exact Mass447.29
IUPAC NameN-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCN(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C33H37N/c1-32(2,3)23-9-11-26(12-10-23)34(4)27-13-14-31-29(20-27)28-7-5-6-8-30(28)33(31)24-16-21-15-22(18-24)19-25(33)17-21/h5-14,20-22,24-25H,15-19H2,1-4H3
InChIKeyMABSCXZRDWJHMF-UHFFFAOYSA-N
XLogP8.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.67
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567514
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 176595499
N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 163885225
N-(9,9-dimethylfluoren-3-yl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722678
N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
CID 155041623
N-(4-tert-butylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-thioxanthene]-2'-amine
CID 176595054
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-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 166807941
3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
CID 156573524
N-[2-[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 174308706

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine (CID 155041617) is N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine is CN(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is MABSCXZRDWJHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N/c1-32(2,3)23-9-11-26(12-10-23)34(4)27-13-14-31-29(20-27)28-7-5-6-8-30(28)33(31)24-16-21-15-22(18-24)19-25(33)17-21/h5-14,20-22,24-25H,15-19H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine?
N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine has a molecular weight of 447.67 g/mol, XLogP of 8.47, 2 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-methylspiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 155041617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).