6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione

C27H15N3O3 — CID 981540

IUPAC6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione
SMILESCc1ccc2c(c1)nc1c3ccc4c5c(ccc(c(=O)n21)c53)C(=O)N(c1ccccc1)C4=O
InChIInChI=1S/C27H15N3O3/c1-14-7-12-21-20(13-14)28-24-16-8-9-18-23-19(11-10-17(22(16)23)27(33)30(21)24)26(32)29(25(18)31)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyMSPMFKXCSQQYKF-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.70
Rot. Bonds1

About 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione

6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione (PubChem CID 981540) has the molecular formula C27H15N3O3 and a molecular weight of 429.44 g/mol. Its IUPAC name is 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione.

Molecular Properties

Compound Name6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione
PubChem CID981540
Molecular FormulaC27H15N3O3
Molecular Weight429.44 g/mol
Exact Mass429.11
IUPAC Name6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione
SMILESCc1ccc2c(c1)nc1c3ccc4c5c(ccc(c(=O)n21)c53)C(=O)N(c1ccccc1)C4=O
InChIInChI=1S/C27H15N3O3/c1-14-7-12-21-20(13-14)28-24-16-8-9-18-23-19(11-10-17(22(16)23)27(33)30(21)24)26(32)29(25(18)31)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyMSPMFKXCSQQYKF-UHFFFAOYSA-N
XLogP4.70
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione 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 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione?
The IUPAC name of 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione (CID 981540) is 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione.
What is the SMILES notation for 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione?
The canonical SMILES for 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione is Cc1ccc2c(c1)nc1c3ccc4c5c(ccc(c(=O)n21)c53)C(=O)N(c1ccccc1)C4=O.
What is the InChIKey of 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione?
The InChIKey is MSPMFKXCSQQYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15N3O3/c1-14-7-12-21-20(13-14)28-24-16-8-9-18-23-19(11-10-17(22(16)23)27(33)30(21)24)26(32)29(25(18)31)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione?
6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione has a molecular weight of 429.44 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-17-phenyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione is sourced from PubChem (CID 981540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).