2-(1-adamantyl)-9,9-dimethylfluorene

C25H28 — CID 59217277

IUPAC2-(1-adamantyl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc21
InChIInChI=1S/C25H28/c1-24(2)22-6-4-3-5-20(22)21-8-7-19(12-23(21)24)25-13-16-9-17(14-25)11-18(10-16)15-25/h3-8,12,16-18H,9-11,13-15H2,1-2H3
InChIKeyOWHPXJBZBZVEFA-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.46
Rot. Bonds1

About 2-(1-adamantyl)-9,9-dimethylfluorene

2-(1-adamantyl)-9,9-dimethylfluorene (PubChem CID 59217277) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(1-adamantyl)-9,9-dimethylfluorene
PubChem CID59217277
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name2-(1-adamantyl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc21
InChIInChI=1S/C25H28/c1-24(2)22-6-4-3-5-20(22)21-8-7-19(12-23(21)24)25-13-16-9-17(14-25)11-18(10-16)15-25/h3-8,12,16-18H,9-11,13-15H2,1-2H3
InChIKeyOWHPXJBZBZVEFA-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene
CID 156756411
7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 146578864
N-[4-[7-(1-adamantyl)-9,9-dimethylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145346070
N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 156556685
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
2,7-bis(1-adamantyl)-9,9-bis(3,4-dimethylphenyl)fluorene
CID 90865603
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine
CID 162222684

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-9,9-dimethylfluorene?
The IUPAC name of 2-(1-adamantyl)-9,9-dimethylfluorene (CID 59217277) is 2-(1-adamantyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-(1-adamantyl)-9,9-dimethylfluorene?
The canonical SMILES for 2-(1-adamantyl)-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc21.
What is the InChIKey of 2-(1-adamantyl)-9,9-dimethylfluorene?
The InChIKey is OWHPXJBZBZVEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-24(2)22-6-4-3-5-20(22)21-8-7-19(12-23(21)24)25-13-16-9-17(14-25)11-18(10-16)15-25/h3-8,12,16-18H,9-11,13-15H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-9,9-dimethylfluorene?
2-(1-adamantyl)-9,9-dimethylfluorene has a molecular weight of 328.50 g/mol, XLogP of 6.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-9,9-dimethylfluorene is sourced from PubChem (CID 59217277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).