(9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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

C30H27N3O3 — CID 92500694

IUPAC(9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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
SMILESCc1ccc([C@H]2Oc3ccc(C)cc3-n3c(-c4ccccc4C)c4c(=O)n(C)c(=O)n(C)c4c32)cc1
InChIInChI=1S/C30H27N3O3/c1-17-10-13-20(14-11-17)28-27-26-24(29(34)32(5)30(35)31(26)4)25(21-9-7-6-8-19(21)3)33(27)22-16-18(2)12-15-23(22)36-28/h6-16,28H,1-5H3/t28-/m1/s1
InChIKeyOUWIDWKFLNHFNS-MUUNZHRXSA-N
MW477.56 g/mol
LogP5.10
Rot. Bonds2

About (9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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 92500694) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is (9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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 CID92500694
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name(9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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
SMILESCc1ccc([C@H]2Oc3ccc(C)cc3-n3c(-c4ccccc4C)c4c(=O)n(C)c(=O)n(C)c4c32)cc1
InChIInChI=1S/C30H27N3O3/c1-17-10-13-20(14-11-17)28-27-26-24(29(34)32(5)30(35)31(26)4)25(21-9-7-6-8-19(21)3)33(27)22-16-18(2)12-15-23(22)36-28/h6-16,28H,1-5H3/t28-/m1/s1
InChIKeyOUWIDWKFLNHFNS-MUUNZHRXSA-N
XLogP5.10
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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 92500694) is (9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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 Cc1ccc([C@H]2Oc3ccc(C)cc3-n3c(-c4ccccc4C)c4c(=O)n(C)c(=O)n(C)c4c32)cc1.
What is the InChIKey of (9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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 OUWIDWKFLNHFNS-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-17-10-13-20(14-11-17)28-27-26-24(29(34)32(5)30(35)31(26)4)25(21-9-7-6-8-19(21)3)33(27)22-16-18(2)12-15-23(22)36-28/h6-16,28H,1-5H3/t28-/m1/s1.
What are the key properties of (9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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 477.56 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(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 92500694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).