17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C28H23N3 — CID 168816669

IUPAC17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCC(C)c1cc(-c2ncnc3c4ccc5ccccc5c4n(C)c23)cc2ccccc12
InChIInChI=1S/C28H23N3/c1-17(2)24-15-20(14-19-9-5-6-10-21(19)24)25-28-26(30-16-29-25)23-13-12-18-8-4-7-11-22(18)27(23)31(28)3/h4-17H,1-3H3
InChIKeyWKWGKMLAZILNEF-UHFFFAOYSA-N
MW401.51 g/mol
LogP7.22
Rot. Bonds2

About 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 168816669) has the molecular formula C28H23N3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID168816669
Molecular FormulaC28H23N3
Molecular Weight401.51 g/mol
Exact Mass401.19
IUPAC Name17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCC(C)c1cc(-c2ncnc3c4ccc5ccccc5c4n(C)c23)cc2ccccc12
InChIInChI=1S/C28H23N3/c1-17(2)24-15-20(14-19-9-5-6-10-21(19)24)25-28-26(30-16-29-25)23-13-12-18-8-4-7-11-22(18)27(23)31(28)3/h4-17H,1-3H3
InChIKeyWKWGKMLAZILNEF-UHFFFAOYSA-N
XLogP7.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

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trimethyl-[[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]methyl]germane
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Frequently Asked Questions

What is the IUPAC name of 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 168816669) is 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is CC(C)c1cc(-c2ncnc3c4ccc5ccccc5c4n(C)c23)cc2ccccc12.
What is the InChIKey of 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is WKWGKMLAZILNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3/c1-17(2)24-15-20(14-19-9-5-6-10-21(19)24)25-28-26(30-16-29-25)23-13-12-18-8-4-7-11-22(18)27(23)31(28)3/h4-17H,1-3H3.
What are the key properties of 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 401.51 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-15-(4-propan-2-ylnaphthalen-2-yl)-12,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 168816669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).