2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]

C42H32FNO — CID 71004149

IUPAC2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]
SMILESFc1ccc2c(c1)C1(CCCCC1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H32FNO/c43-32-17-21-39-37(27-32)42(23-7-2-8-24-42)36-26-31(30-16-22-41-35(25-30)34-11-5-6-12-40(34)45-41)15-20-38(36)44(39)33-18-13-29(14-19-33)28-9-3-1-4-10-28/h1,3-6,9-22,25-27H,2,7-8,23-24H2
InChIKeyGIHPZGWBEXLWLO-UHFFFAOYSA-N
MW585.72 g/mol
LogP12.09
Rot. Bonds3

About 2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]

2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane] (PubChem CID 71004149) has the molecular formula C42H32FNO and a molecular weight of 585.72 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane].

Molecular Properties

Compound Name2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]
PubChem CID71004149
Molecular FormulaC42H32FNO
Molecular Weight585.72 g/mol
Exact Mass585.25
IUPAC Name2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]
SMILESFc1ccc2c(c1)C1(CCCCC1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H32FNO/c43-32-17-21-39-37(27-32)42(23-7-2-8-24-42)36-26-31(30-16-22-41-35(25-30)34-11-5-6-12-40(34)45-41)15-20-38(36)44(39)33-18-13-29(14-19-33)28-9-3-1-4-10-28/h1,3-6,9-22,25-27H,2,7-8,23-24H2
InChIKeyGIHPZGWBEXLWLO-UHFFFAOYSA-N
XLogP12.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.72
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]?
The IUPAC name of 2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane] (CID 71004149) is 2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane].
What is the SMILES notation for 2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]?
The canonical SMILES for 2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane] is Fc1ccc2c(c1)C1(CCCCC1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]?
The InChIKey is GIHPZGWBEXLWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32FNO/c43-32-17-21-39-37(27-32)42(23-7-2-8-24-42)36-26-31(30-16-22-41-35(25-30)34-11-5-6-12-40(34)45-41)15-20-38(36)44(39)33-18-13-29(14-19-33)28-9-3-1-4-10-28/h1,3-6,9-22,25-27H,2,7-8,23-24H2.
What are the key properties of 2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]?
2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane] has a molecular weight of 585.72 g/mol, XLogP of 12.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane] is sourced from PubChem (CID 71004149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).