10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one

C24H18FN7O — CID 132915764

IUPAC10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one
SMILESCc1ccc(CN2C(=O)N(c3ccc(F)cc3)C3=Nc4ccccc4-n4nnnc4C32)cc1
InChIInChI=1S/C24H18FN7O/c1-15-6-8-16(9-7-15)14-30-21-22(31(24(30)33)18-12-10-17(25)11-13-18)26-19-4-2-3-5-20(19)32-23(21)27-28-29-32/h2-13,21H,14H2,1H3
InChIKeyPBMDQQLUMXVRQP-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.34
Rot. Bonds3

About 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one

10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one (PubChem CID 132915764) has the molecular formula C24H18FN7O and a molecular weight of 439.45 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one.

Molecular Properties

Compound Name10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one
PubChem CID132915764
Molecular FormulaC24H18FN7O
Molecular Weight439.45 g/mol
Exact Mass439.16
IUPAC Name10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one
SMILESCc1ccc(CN2C(=O)N(c3ccc(F)cc3)C3=Nc4ccccc4-n4nnnc4C32)cc1
InChIInChI=1S/C24H18FN7O/c1-15-6-8-16(9-7-15)14-30-21-22(31(24(30)33)18-12-10-17(25)11-13-18)26-19-4-2-3-5-20(19)32-23(21)27-28-29-32/h2-13,21H,14H2,1H3
InChIKeyPBMDQQLUMXVRQP-UHFFFAOYSA-N
XLogP4.34
TPSA79.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one?
The IUPAC name of 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one (CID 132915764) is 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one.
What is the SMILES notation for 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one?
The canonical SMILES for 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one is Cc1ccc(CN2C(=O)N(c3ccc(F)cc3)C3=Nc4ccccc4-n4nnnc4C32)cc1.
What is the InChIKey of 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one?
The InChIKey is PBMDQQLUMXVRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O/c1-15-6-8-16(9-7-15)14-30-21-22(31(24(30)33)18-12-10-17(25)11-13-18)26-19-4-2-3-5-20(19)32-23(21)27-28-29-32/h2-13,21H,14H2,1H3.
What are the key properties of 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one?
10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one has a molecular weight of 439.45 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one is sourced from PubChem (CID 132915764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).