16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one

C35H39NO — CID 169156726

IUPAC16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one
SMILESCc1cc(C)c(-c2ccc3[nH]c4cc5c(cc4c3c2)C23CCCC(C)(C)C2CC(C)(CC3)C5=O)c(C)c1
InChIInChI=1S/C35H39NO/c1-20-14-21(2)31(22(3)15-20)23-8-9-28-24(16-23)25-17-27-26(18-29(25)36-28)32(37)34(6)12-13-35(27)11-7-10-33(4,5)30(35)19-34/h8-9,14-18,30,36H,7,10-13,19H2,1-6H3
InChIKeyMXFMZXUZUZBDHN-UHFFFAOYSA-N
MW489.70 g/mol
LogP9.36
Rot. Bonds1

About 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one

16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one (PubChem CID 169156726) has the molecular formula C35H39NO and a molecular weight of 489.70 g/mol. Its IUPAC name is 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one.

Molecular Properties

Compound Name16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one
PubChem CID169156726
Molecular FormulaC35H39NO
Molecular Weight489.70 g/mol
Exact Mass489.30
IUPAC Name16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one
SMILESCc1cc(C)c(-c2ccc3[nH]c4cc5c(cc4c3c2)C23CCCC(C)(C)C2CC(C)(CC3)C5=O)c(C)c1
InChIInChI=1S/C35H39NO/c1-20-14-21(2)31(22(3)15-20)23-8-9-28-24(16-23)25-17-27-26(18-29(25)36-28)32(37)34(6)12-13-35(27)11-7-10-33(4,5)30(35)19-34/h8-9,14-18,30,36H,7,10-13,19H2,1-6H3
InChIKeyMXFMZXUZUZBDHN-UHFFFAOYSA-N
XLogP9.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.70
LogP ≤ 59.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one 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 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one?
The IUPAC name of 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one (CID 169156726) is 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one.
What is the SMILES notation for 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one?
The canonical SMILES for 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one is Cc1cc(C)c(-c2ccc3[nH]c4cc5c(cc4c3c2)C23CCCC(C)(C)C2CC(C)(CC3)C5=O)c(C)c1.
What is the InChIKey of 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one?
The InChIKey is MXFMZXUZUZBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39NO/c1-20-14-21(2)31(22(3)15-20)23-8-9-28-24(16-23)25-17-27-26(18-29(25)36-28)32(37)34(6)12-13-35(27)11-7-10-33(4,5)30(35)19-34/h8-9,14-18,30,36H,7,10-13,19H2,1-6H3.
What are the key properties of 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one?
16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one has a molecular weight of 489.70 g/mol, XLogP of 9.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16,19,19-trimethyl-7-(2,4,6-trimethylphenyl)-11-azahexacyclo[14.6.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5(10),6,8,12-hexaen-15-one is sourced from PubChem (CID 169156726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).