(15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one

C24H19N5O — CID 134924278

IUPAC(15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one
SMILESO=c1c2c(nc3ccccn13)N(c1ccccc1)C[C@@H]1CN(c3ccccc3)N=C21
InChIInChI=1S/C24H19N5O/c30-24-21-22-17(16-29(26-22)19-11-5-2-6-12-19)15-28(18-9-3-1-4-10-18)23(21)25-20-13-7-8-14-27(20)24/h1-14,17H,15-16H2/t17-/m1/s1
InChIKeySGXAFHAAPKRBAM-QGZVFWFLSA-N
MW393.45 g/mol
LogP3.69
Rot. Bonds2

About (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one

(15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one (PubChem CID 134924278) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one.

Molecular Properties

Compound Name(15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one
PubChem CID134924278
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name(15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one
SMILESO=c1c2c(nc3ccccn13)N(c1ccccc1)C[C@@H]1CN(c3ccccc3)N=C21
InChIInChI=1S/C24H19N5O/c30-24-21-22-17(16-29(26-22)19-11-5-2-6-12-19)15-28(18-9-3-1-4-10-18)23(21)25-20-13-7-8-14-27(20)24/h1-14,17H,15-16H2/t17-/m1/s1
InChIKeySGXAFHAAPKRBAM-QGZVFWFLSA-N
XLogP3.69
TPSA53.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one?
The IUPAC name of (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one (CID 134924278) is (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one.
What is the SMILES notation for (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one?
The canonical SMILES for (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one is O=c1c2c(nc3ccccn13)N(c1ccccc1)C[C@@H]1CN(c3ccccc3)N=C21.
What is the InChIKey of (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one?
The InChIKey is SGXAFHAAPKRBAM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H19N5O/c30-24-21-22-17(16-29(26-22)19-11-5-2-6-12-19)15-28(18-9-3-1-4-10-18)23(21)25-20-13-7-8-14-27(20)24/h1-14,17H,15-16H2/t17-/m1/s1.
What are the key properties of (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one?
(15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one has a molecular weight of 393.45 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one is sourced from PubChem (CID 134924278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).