15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene

C23H27N3 — CID 71008400

IUPAC15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
SMILESCc1ccc2c(n1)c1c(n2CCc2ccccc2)CCN2CCCCC12
InChIInChI=1S/C23H27N3/c1-17-10-11-21-23(24-17)22-19-9-5-6-14-25(19)15-13-20(22)26(21)16-12-18-7-3-2-4-8-18/h2-4,7-8,10-11,19H,5-6,9,12-16H2,1H3
InChIKeyLLIDGVSFUDQSIU-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.67
Rot. Bonds3

About 15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene

15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene (PubChem CID 71008400) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene.

Molecular Properties

Compound Name15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
PubChem CID71008400
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
SMILESCc1ccc2c(n1)c1c(n2CCc2ccccc2)CCN2CCCCC12
InChIInChI=1S/C23H27N3/c1-17-10-11-21-23(24-17)22-19-9-5-6-14-25(19)15-13-20(22)26(21)16-12-18-7-3-2-4-8-18/h2-4,7-8,10-11,19H,5-6,9,12-16H2,1H3
InChIKeyLLIDGVSFUDQSIU-UHFFFAOYSA-N
XLogP4.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The IUPAC name of 15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene (CID 71008400) is 15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene.
What is the SMILES notation for 15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The canonical SMILES for 15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene is Cc1ccc2c(n1)c1c(n2CCc2ccccc2)CCN2CCCCC12.
What is the InChIKey of 15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The InChIKey is LLIDGVSFUDQSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-17-10-11-21-23(24-17)22-19-9-5-6-14-25(19)15-13-20(22)26(21)16-12-18-7-3-2-4-8-18/h2-4,7-8,10-11,19H,5-6,9,12-16H2,1H3.
What are the key properties of 15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene has a molecular weight of 345.49 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene is sourced from PubChem (CID 71008400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).