17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene

C26H31N3 — CID 70652142

IUPAC17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene
SMILESCC(C)(C)c1ccc2c(ccn3c4cc5c(cc4nc23)C(C)(C)CCC5(C)C)n1
InChIInChI=1S/C26H31N3/c1-24(2,3)22-9-8-16-19(27-22)10-13-29-21-15-18-17(14-20(21)28-23(16)29)25(4,5)11-12-26(18,6)7/h8-10,13-15H,11-12H2,1-7H3
InChIKeyKHKICOJZCOERCJ-UHFFFAOYSA-N
MW385.56 g/mol
LogP6.68
Rot. Bonds

About 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene

17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene (PubChem CID 70652142) has the molecular formula C26H31N3 and a molecular weight of 385.56 g/mol. Its IUPAC name is 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene.

Molecular Properties

Compound Name17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene
PubChem CID70652142
Molecular FormulaC26H31N3
Molecular Weight385.56 g/mol
Exact Mass385.25
IUPAC Name17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene
SMILESCC(C)(C)c1ccc2c(ccn3c4cc5c(cc4nc23)C(C)(C)CCC5(C)C)n1
InChIInChI=1S/C26H31N3/c1-24(2,3)22-9-8-16-19(27-22)10-13-29-21-15-18-17(14-20(21)28-23(16)29)25(4,5)11-12-26(18,6)7/h8-10,13-15H,11-12H2,1-7H3
InChIKeyKHKICOJZCOERCJ-UHFFFAOYSA-N
XLogP6.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene?
The IUPAC name of 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene (CID 70652142) is 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene.
What is the SMILES notation for 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene?
The canonical SMILES for 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene is CC(C)(C)c1ccc2c(ccn3c4cc5c(cc4nc23)C(C)(C)CCC5(C)C)n1.
What is the InChIKey of 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene?
The InChIKey is KHKICOJZCOERCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3/c1-24(2,3)22-9-8-16-19(27-22)10-13-29-21-15-18-17(14-20(21)28-23(16)29)25(4,5)11-12-26(18,6)7/h8-10,13-15H,11-12H2,1-7H3.
What are the key properties of 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene?
17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene has a molecular weight of 385.56 g/mol, XLogP of 6.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene is sourced from PubChem (CID 70652142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).