5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]

C28H23NO2 — CID 150135063

IUPAC5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESO=[N+]([O-])c1ccccc1-c1cc2c(c3ccccc13)-c1ccccc1C21CCCCC1
InChIInChI=1S/C28H23NO2/c30-29(31)26-15-7-5-11-20(26)23-18-25-27(21-12-3-2-10-19(21)23)22-13-4-6-14-24(22)28(25)16-8-1-9-17-28/h2-7,10-15,18H,1,8-9,16-17H2
InChIKeyFCBIMSPKNAVHLD-UHFFFAOYSA-N
MW405.50 g/mol
LogP7.65
Rot. Bonds2

About 5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]

5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] (PubChem CID 150135063) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane].

Molecular Properties

Compound Name5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
PubChem CID150135063
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESO=[N+]([O-])c1ccccc1-c1cc2c(c3ccccc13)-c1ccccc1C21CCCCC1
InChIInChI=1S/C28H23NO2/c30-29(31)26-15-7-5-11-20(26)23-18-25-27(21-12-3-2-10-19(21)23)22-13-4-6-14-24(22)28(25)16-8-1-9-17-28/h2-7,10-15,18H,1,8-9,16-17H2
InChIKeyFCBIMSPKNAVHLD-UHFFFAOYSA-N
XLogP7.65
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 57.65
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]?
The IUPAC name of 5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] (CID 150135063) is 5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane].
What is the SMILES notation for 5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]?
The canonical SMILES for 5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] is O=[N+]([O-])c1ccccc1-c1cc2c(c3ccccc13)-c1ccccc1C21CCCCC1.
What is the InChIKey of 5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]?
The InChIKey is FCBIMSPKNAVHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c30-29(31)26-15-7-5-11-20(26)23-18-25-27(21-12-3-2-10-19(21)23)22-13-4-6-14-24(22)28(25)16-8-1-9-17-28/h2-7,10-15,18H,1,8-9,16-17H2.
What are the key properties of 5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]?
5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] has a molecular weight of 405.50 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] is sourced from PubChem (CID 150135063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).