(9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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

C30H27N3O4 — CID 92500818

IUPAC(9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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
SMILESCOc1ccc([C@H]2Oc3ccc(C)cc3-n3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1
InChIInChI=1S/C30H27N3O4/c1-17-6-9-19(10-7-17)25-24-26(31(3)30(35)32(4)29(24)34)27-28(20-11-13-21(36-5)14-12-20)37-23-15-8-18(2)16-22(23)33(25)27/h6-16,28H,1-5H3/t28-/m1/s1
InChIKeyIDGPEDHMUPZMBD-MUUNZHRXSA-N
MW493.56 g/mol
LogP4.80
Rot. Bonds3

About (9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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 92500818) has the molecular formula C30H27N3O4 and a molecular weight of 493.56 g/mol. Its IUPAC name is (9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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 CID92500818
Molecular FormulaC30H27N3O4
Molecular Weight493.56 g/mol
Exact Mass493.20
IUPAC Name(9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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
SMILESCOc1ccc([C@H]2Oc3ccc(C)cc3-n3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1
InChIInChI=1S/C30H27N3O4/c1-17-6-9-19(10-7-17)25-24-26(31(3)30(35)32(4)29(24)34)27-28(20-11-13-21(36-5)14-12-20)37-23-15-8-18(2)16-22(23)33(25)27/h6-16,28H,1-5H3/t28-/m1/s1
InChIKeyIDGPEDHMUPZMBD-MUUNZHRXSA-N
XLogP4.80
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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 92500818) is (9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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 COc1ccc([C@H]2Oc3ccc(C)cc3-n3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1.
What is the InChIKey of (9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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 IDGPEDHMUPZMBD-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H27N3O4/c1-17-6-9-19(10-7-17)25-24-26(31(3)30(35)32(4)29(24)34)27-28(20-11-13-21(36-5)14-12-20)37-23-15-8-18(2)16-22(23)33(25)27/h6-16,28H,1-5H3/t28-/m1/s1.
What are the key properties of (9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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 493.56 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-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 92500818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).