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

C39H28FNS — CID 71003982

IUPAC2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
SMILESCC1(C)c2cc(F)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C39H28FNS/c1-39(2)33-23-28(27-15-21-38-32(22-27)31-10-6-7-11-37(31)42-38)14-19-35(33)41(36-20-16-29(40)24-34(36)39)30-17-12-26(13-18-30)25-8-4-3-5-9-25/h3-24H,1-2H3
InChIKeyMKAGGFDVLNEQSL-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.64
Rot. Bonds3

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

2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine (PubChem CID 71003982) has the molecular formula C39H28FNS and a molecular weight of 561.73 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
PubChem CID71003982
Molecular FormulaC39H28FNS
Molecular Weight561.73 g/mol
Exact Mass561.19
IUPAC Name2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
SMILESCC1(C)c2cc(F)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C39H28FNS/c1-39(2)33-23-28(27-15-21-38-32(22-27)31-10-6-7-11-37(31)42-38)14-19-35(33)41(36-20-16-29(40)24-34(36)39)30-17-12-26(13-18-30)25-8-4-3-5-9-25/h3-24H,1-2H3
InChIKeyMKAGGFDVLNEQSL-UHFFFAOYSA-N
XLogP11.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.64
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-9,9-dimethyl-10-(4-phenylphenyl)acridine?
The IUPAC name of 2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine (CID 71003982) is 2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine?
The canonical SMILES for 2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine is CC1(C)c2cc(F)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc21.
What is the InChIKey of 2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine?
The InChIKey is MKAGGFDVLNEQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28FNS/c1-39(2)33-23-28(27-15-21-38-32(22-27)31-10-6-7-11-37(31)42-38)14-19-35(33)41(36-20-16-29(40)24-34(36)39)30-17-12-26(13-18-30)25-8-4-3-5-9-25/h3-24H,1-2H3.
What are the key properties of 2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine?
2-dibenzothiophen-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine has a molecular weight of 561.73 g/mol, XLogP of 11.64, 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-9,9-dimethyl-10-(4-phenylphenyl)acridine is sourced from PubChem (CID 71003982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).