2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine

C45H32FNS — CID 71003877

IUPAC2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
SMILESCC1(C)c2cc(F)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc21
InChIInChI=1S/C45H32FNS/c1-45(2)39-27-34(32-12-8-11-31(25-32)33-18-24-44-38(26-33)37-13-6-7-14-43(37)48-44)17-22-41(39)47(42-23-19-35(46)28-40(42)45)36-20-15-30(16-21-36)29-9-4-3-5-10-29/h3-28H,1-2H3
InChIKeySSJCSLOCCGRYKX-UHFFFAOYSA-N
MW637.82 g/mol
LogP13.30
Rot. Bonds4

About 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine

2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine (PubChem CID 71003877) has the molecular formula C45H32FNS and a molecular weight of 637.82 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine.

Molecular Properties

Compound Name2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
PubChem CID71003877
Molecular FormulaC45H32FNS
Molecular Weight637.82 g/mol
Exact Mass637.22
IUPAC Name2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
SMILESCC1(C)c2cc(F)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc21
InChIInChI=1S/C45H32FNS/c1-45(2)39-27-34(32-12-8-11-31(25-32)33-18-24-44-38(26-33)37-13-6-7-14-43(37)48-44)17-22-41(39)47(42-23-19-35(46)28-40(42)45)36-20-15-30(16-21-36)29-9-4-3-5-10-29/h3-28H,1-2H3
InChIKeySSJCSLOCCGRYKX-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine?
The IUPAC name of 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine (CID 71003877) is 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine.
What is the SMILES notation for 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine?
The canonical SMILES for 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine is CC1(C)c2cc(F)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc21.
What is the InChIKey of 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine?
The InChIKey is SSJCSLOCCGRYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32FNS/c1-45(2)39-27-34(32-12-8-11-31(25-32)33-18-24-44-38(26-33)37-13-6-7-14-43(37)48-44)17-22-41(39)47(42-23-19-35(46)28-40(42)45)36-20-15-30(16-21-36)29-9-4-3-5-10-29/h3-28H,1-2H3.
What are the key properties of 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine?
2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine 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 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine is sourced from PubChem (CID 71003877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).