1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene]

C28H25NO2 — CID 164819428

IUPAC1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene]
SMILESO=[N+]([O-])c1ccccc1-c1cccc2c1C1(c3ccccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H25NO2/c30-29(31)26-11-4-2-7-22(26)24-9-5-8-23-21-6-1-3-10-25(21)28(27(23)24)19-13-17-12-18(15-19)16-20(28)14-17/h1-11,17-20H,12-16H2
InChIKeyUUGXEKIPLFAEIA-UHFFFAOYSA-N
MW407.51 g/mol
LogP6.98
Rot. Bonds2

About 1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene]

1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene] (PubChem CID 164819428) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene].

Molecular Properties

Compound Name1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene]
PubChem CID164819428
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC Name1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene]
SMILESO=[N+]([O-])c1ccccc1-c1cccc2c1C1(c3ccccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H25NO2/c30-29(31)26-11-4-2-7-22(26)24-9-5-8-23-21-6-1-3-10-25(21)28(27(23)24)19-13-17-12-18(15-19)16-20(28)14-17/h1-11,17-20H,12-16H2
InChIKeyUUGXEKIPLFAEIA-UHFFFAOYSA-N
XLogP6.98
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567982
7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819532
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
9,9-dimethyl-4-(2-nitrophenyl)fluorene
CID 175669556
4'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809012
9-methyl-9-(2-nitrophenyl)fluorene
CID 129293080
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline
CID 156567903
7-methyl-1'-(3-nitronaphthalen-2-yl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819440
8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]
CID 167268553
N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
CID 168722546
11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene
CID 126621942
4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene
CID 163498832

Frequently Asked Questions

What is the IUPAC name of 1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene]?
The IUPAC name of 1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene] (CID 164819428) is 1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene].
What is the SMILES notation for 1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene]?
The canonical SMILES for 1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene] is O=[N+]([O-])c1ccccc1-c1cccc2c1C1(c3ccccc3-2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene]?
The InChIKey is UUGXEKIPLFAEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c30-29(31)26-11-4-2-7-22(26)24-9-5-8-23-21-6-1-3-10-25(21)28(27(23)24)19-13-17-12-18(15-19)16-20(28)14-17/h1-11,17-20H,12-16H2.
What are the key properties of 1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene]?
1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene] has a molecular weight of 407.51 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene] is sourced from PubChem (CID 164819428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).