N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide

C25H21NO — CID 134845979

IUPACN-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide
SMILES[O-][N+](C1=CCC(c2ccccc2)CC1)=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H21NO/c27-26(20-16-14-19(15-17-20)18-8-2-1-3-9-18)25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,16,19H,14-15,17H2
InChIKeyAVWISKYCZAUZSN-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.87
Rot. Bonds2

About N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide

N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide (PubChem CID 134845979) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide.

Molecular Properties

Compound NameN-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide
PubChem CID134845979
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC NameN-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide
SMILES[O-][N+](C1=CCC(c2ccccc2)CC1)=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H21NO/c27-26(20-16-14-19(15-17-20)18-8-2-1-3-9-18)25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,16,19H,14-15,17H2
InChIKeyAVWISKYCZAUZSN-UHFFFAOYSA-N
XLogP5.87
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide?
The IUPAC name of N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide (CID 134845979) is N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide.
What is the SMILES notation for N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide?
The canonical SMILES for N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide is [O-][N+](C1=CCC(c2ccccc2)CC1)=C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide?
The InChIKey is AVWISKYCZAUZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c27-26(20-16-14-19(15-17-20)18-8-2-1-3-9-18)25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,16,19H,14-15,17H2.
What are the key properties of N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide?
N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide has a molecular weight of 351.45 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylcyclohexen-1-yl)fluoren-9-imine oxide is sourced from PubChem (CID 134845979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).