(9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione

C27H23N3O4 — CID 92500719

IUPAC(9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
SMILESCc1ccc2c(c1)-n1c(-c3ccccc3C)c3c(=O)n(C)c(=O)n(C)c3c1[C@H](c1ccco1)O2
InChIInChI=1S/C27H23N3O4/c1-15-11-12-19-18(14-15)30-22(17-9-6-5-8-16(17)2)21-23(28(3)27(32)29(4)26(21)31)24(30)25(34-19)20-10-7-13-33-20/h5-14,25H,1-4H3/t25-/m0/s1
InChIKeyGIHDVIWHVJPMFD-VWLOTQADSA-N
MW453.50 g/mol
LogP4.39
Rot. Bonds2

About (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione

(9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione (PubChem CID 92500719) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione.

Molecular Properties

Compound Name(9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
PubChem CID92500719
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC Name(9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
SMILESCc1ccc2c(c1)-n1c(-c3ccccc3C)c3c(=O)n(C)c(=O)n(C)c3c1[C@H](c1ccco1)O2
InChIInChI=1S/C27H23N3O4/c1-15-11-12-19-18(14-15)30-22(17-9-6-5-8-16(17)2)21-23(28(3)27(32)29(4)26(21)31)24(30)25(34-19)20-10-7-13-33-20/h5-14,25H,1-4H3/t25-/m0/s1
InChIKeyGIHDVIWHVJPMFD-VWLOTQADSA-N
XLogP4.39
TPSA71.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[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 (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
The IUPAC name of (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione (CID 92500719) is (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione.
What is the SMILES notation for (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
The canonical SMILES for (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione is Cc1ccc2c(c1)-n1c(-c3ccccc3C)c3c(=O)n(C)c(=O)n(C)c3c1[C@H](c1ccco1)O2.
What is the InChIKey of (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
The InChIKey is GIHDVIWHVJPMFD-VWLOTQADSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-15-11-12-19-18(14-15)30-22(17-9-6-5-8-16(17)2)21-23(28(3)27(32)29(4)26(21)31)24(30)25(34-19)20-10-7-13-33-20/h5-14,25H,1-4H3/t25-/m0/s1.
What are the key properties of (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
(9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione has a molecular weight of 453.50 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-(furan-2-yl)-4,12,14-trimethyl-17-(2-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione is sourced from PubChem (CID 92500719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).