7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]

C28H27NO2 — CID 164819532

IUPAC7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
SMILESCC1CC2CCC3(c4ccccc4-c4c(-c5ccccc5[N+](=O)[O-])cccc43)C(C1)C2
InChIInChI=1S/C28H27NO2/c1-18-15-19-13-14-28(20(16-18)17-19)24-10-4-2-8-23(24)27-22(9-6-11-25(27)28)21-7-3-5-12-26(21)29(30)31/h2-12,18-20H,13-17H2,1H3
InChIKeyXEJZDKXLKPXABP-UHFFFAOYSA-N
MW409.53 g/mol
LogP7.37
Rot. Bonds2

About 7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]

7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene] (PubChem CID 164819532) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene].

Molecular Properties

Compound Name7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
PubChem CID164819532
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
SMILESCC1CC2CCC3(c4ccccc4-c4c(-c5ccccc5[N+](=O)[O-])cccc43)C(C1)C2
InChIInChI=1S/C28H27NO2/c1-18-15-19-13-14-28(20(16-18)17-19)24-10-4-2-8-23(24)27-22(9-6-11-25(27)28)21-7-3-5-12-26(21)29(30)31/h2-12,18-20H,13-17H2,1H3
InChIKeyXEJZDKXLKPXABP-UHFFFAOYSA-N
XLogP7.37
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 57.37
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

4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819571
7-methyl-1'-(3-nitronaphthalen-2-yl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819440
4,4,5,5-tetramethyl-2-(7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-yl)-1,3,2-dioxaborolane
CID 164819559
N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine
CID 164819461
9,9-dimethyl-4-(2-nitrophenyl)fluorene
CID 175669556
1'-(2-nitrophenyl)spiro[adamantane-2,9'-fluorene]
CID 164819428
2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 166808088
2-(3,6-dimethyl-6-bicyclo[3.2.1]octanyl)-4-nitro-3H-isoindol-1-one
CID 155296689
4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 118104063
1-(2-nitrophenyl)anthracene-9,10-dione
CID 624934
5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 150135063
9-methyl-9-(2-nitrophenyl)fluorene
CID 129293080

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The IUPAC name of 7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene] (CID 164819532) is 7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene].
What is the SMILES notation for 7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The canonical SMILES for 7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene] is CC1CC2CCC3(c4ccccc4-c4c(-c5ccccc5[N+](=O)[O-])cccc43)C(C1)C2.
What is the InChIKey of 7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The InChIKey is XEJZDKXLKPXABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-18-15-19-13-14-28(20(16-18)17-19)24-10-4-2-8-23(24)27-22(9-6-11-25(27)28)21-7-3-5-12-26(21)29(30)31/h2-12,18-20H,13-17H2,1H3.
What are the key properties of 7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene] has a molecular weight of 409.53 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene] is sourced from PubChem (CID 164819532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).