2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine

C46H34FNO — CID 71003945

IUPAC2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine
SMILESCc1cc(-c2ccccc2)ccc1N1c2ccc(-c3ccc(F)cc3)cc2C(C)(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C46H34FNO/c1-29-25-32(30-9-5-4-6-10-30)15-21-41(29)48-42-22-16-34(31-13-19-36(47)20-14-31)27-39(42)46(2,3)40-28-35(17-23-43(40)48)33-18-24-45-38(26-33)37-11-7-8-12-44(37)49-45/h4-28H,1-3H3
InChIKeyXTXGZLYCIKSJGM-UHFFFAOYSA-N
MW635.78 g/mol
LogP13.14
Rot. Bonds4

About 2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine

2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine (PubChem CID 71003945) has the molecular formula C46H34FNO and a molecular weight of 635.78 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine
PubChem CID71003945
Molecular FormulaC46H34FNO
Molecular Weight635.78 g/mol
Exact Mass635.26
IUPAC Name2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine
SMILESCc1cc(-c2ccccc2)ccc1N1c2ccc(-c3ccc(F)cc3)cc2C(C)(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C46H34FNO/c1-29-25-32(30-9-5-4-6-10-30)15-21-41(29)48-42-22-16-34(31-13-19-36(47)20-14-31)27-39(42)46(2,3)40-28-35(17-23-43(40)48)33-18-24-45-38(26-33)37-11-7-8-12-44(37)49-45/h4-28H,1-3H3
InChIKeyXTXGZLYCIKSJGM-UHFFFAOYSA-N
XLogP13.14
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.78
LogP ≤ 513.14
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-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine?
The IUPAC name of 2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine (CID 71003945) is 2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine.
What is the SMILES notation for 2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine?
The canonical SMILES for 2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine is Cc1cc(-c2ccccc2)ccc1N1c2ccc(-c3ccc(F)cc3)cc2C(C)(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of 2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine?
The InChIKey is XTXGZLYCIKSJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34FNO/c1-29-25-32(30-9-5-4-6-10-30)15-21-41(29)48-42-22-16-34(31-13-19-36(47)20-14-31)27-39(42)46(2,3)40-28-35(17-23-43(40)48)33-18-24-45-38(26-33)37-11-7-8-12-44(37)49-45/h4-28H,1-3H3.
What are the key properties of 2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine?
2-dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine has a molecular weight of 635.78 g/mol, XLogP of 13.14, 4 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-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine is sourced from PubChem (CID 71003945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).