10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine

C45H32FNS — CID 71003927

IUPAC10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine
SMILESCC1(C)c2cc(F)ccc2N(c2cccc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C45H32FNS/c1-45(2)39-27-34(29-10-4-3-5-11-29)18-21-41(39)47(42-22-20-35(46)28-40(42)45)36-15-9-14-32(25-36)30-12-8-13-31(24-30)33-19-23-44-38(26-33)37-16-6-7-17-43(37)48-44/h3-28H,1-2H3
InChIKeyLQGBWOALGDSZKM-UHFFFAOYSA-N
MW637.82 g/mol
LogP13.30
Rot. Bonds4

About 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine

10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine (PubChem CID 71003927) has the molecular formula C45H32FNS and a molecular weight of 637.82 g/mol. Its IUPAC name is 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine.

Molecular Properties

Compound Name10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine
PubChem CID71003927
Molecular FormulaC45H32FNS
Molecular Weight637.82 g/mol
Exact Mass637.22
IUPAC Name10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine
SMILESCC1(C)c2cc(F)ccc2N(c2cccc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C45H32FNS/c1-45(2)39-27-34(29-10-4-3-5-11-29)18-21-41(39)47(42-22-20-35(46)28-40(42)45)36-15-9-14-32(25-36)30-12-8-13-31(24-30)33-19-23-44-38(26-33)37-16-6-7-17-43(37)48-44/h3-28H,1-2H3
InChIKeyLQGBWOALGDSZKM-UHFFFAOYSA-N
XLogP13.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.82
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine?
The IUPAC name of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine (CID 71003927) is 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine.
What is the SMILES notation for 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine?
The canonical SMILES for 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine is CC1(C)c2cc(F)ccc2N(c2cccc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine?
The InChIKey is LQGBWOALGDSZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32FNS/c1-45(2)39-27-34(29-10-4-3-5-11-29)18-21-41(39)47(42-22-20-35(46)28-40(42)45)36-15-9-14-32(25-36)30-12-8-13-31(24-30)33-19-23-44-38(26-33)37-16-6-7-17-43(37)48-44/h3-28H,1-2H3.
What are the key properties of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine?
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine has a molecular weight of 637.82 g/mol, XLogP of 13.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine is sourced from PubChem (CID 71003927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).