8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione

C28H25FN4O3 — CID 123222244

IUPAC8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
SMILESCc1ccc(C2c3c4c(cn3-c3cc(C)c(C)cc3N2c2ccccc2F)c(=O)n(C)c(=O)n4C)o1
InChIInChI=1S/C28H25FN4O3/c1-15-12-21-22(13-16(15)2)33(20-9-7-6-8-19(20)29)25(23-11-10-17(3)36-23)26-24-18(14-32(21)26)27(34)31(5)28(35)30(24)4/h6-14,25H,1-5H3
InChIKeyCFCIGKDOUQXOLJ-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.93
Rot. Bonds2

About 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione

8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione (PubChem CID 123222244) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione.

Molecular Properties

Compound Name8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
PubChem CID123222244
Molecular FormulaC28H25FN4O3
Molecular Weight484.53 g/mol
Exact Mass484.19
IUPAC Name8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
SMILESCc1ccc(C2c3c4c(cn3-c3cc(C)c(C)cc3N2c2ccccc2F)c(=O)n(C)c(=O)n4C)o1
InChIInChI=1S/C28H25FN4O3/c1-15-12-21-22(13-16(15)2)33(20-9-7-6-8-19(20)29)25(23-11-10-17(3)36-23)26-24-18(14-32(21)26)27(34)31(5)28(35)30(24)4/h6-14,25H,1-5H3
InChIKeyCFCIGKDOUQXOLJ-UHFFFAOYSA-N
XLogP4.93
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
The IUPAC name of 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione (CID 123222244) is 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione.
What is the SMILES notation for 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
The canonical SMILES for 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione is Cc1ccc(C2c3c4c(cn3-c3cc(C)c(C)cc3N2c2ccccc2F)c(=O)n(C)c(=O)n4C)o1.
What is the InChIKey of 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
The InChIKey is CFCIGKDOUQXOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-15-12-21-22(13-16(15)2)33(20-9-7-6-8-19(20)29)25(23-11-10-17(3)36-23)26-24-18(14-32(21)26)27(34)31(5)28(35)30(24)4/h6-14,25H,1-5H3.
What are the key properties of 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione has a molecular weight of 484.53 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione is sourced from PubChem (CID 123222244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).