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

C42H32FNS — CID 71003931

IUPAC2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]
SMILESFc1ccc2c(c1)C1(CCCCC1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H32FNS/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
InChIKeyWVPMWIKDLASUKN-UHFFFAOYSA-N
MW601.79 g/mol
LogP12.56
Rot. Bonds3

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

2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane] (PubChem CID 71003931) has the molecular formula C42H32FNS and a molecular weight of 601.79 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane].

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]
PubChem CID71003931
Molecular FormulaC42H32FNS
Molecular Weight601.79 g/mol
Exact Mass601.22
IUPAC Name2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]
SMILESFc1ccc2c(c1)C1(CCCCC1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H32FNS/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
InChIKeyWVPMWIKDLASUKN-UHFFFAOYSA-N
XLogP12.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]?
The IUPAC name of 2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane] (CID 71003931) is 2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane].
What is the SMILES notation for 2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]?
The canonical SMILES for 2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane] is Fc1ccc2c(c1)C1(CCCCC1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]?
The InChIKey is WVPMWIKDLASUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32FNS/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-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane]?
2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane] has a molecular weight of 601.79 g/mol, XLogP of 12.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-7-fluoro-10-(4-phenylphenyl)spiro[acridine-9,1'-cyclohexane] is sourced from PubChem (CID 71003931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).