1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide

C54H48N6O3 — CID 126638671

IUPAC1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3cc4c(cn3)CCC4)cc2)cc(C(=O)N(C)c2ccc(-c3cc4c(cn3)CCC4)cc2)c1)c1ccc(-c2cc3c(cn2)CCC3)cc1
InChIInChI=1S/C54H48N6O3/c1-58(46-19-13-34(14-20-46)49-28-37-7-4-10-40(37)31-55-49)52(61)43-25-44(53(62)59(2)47-21-15-35(16-22-47)50-29-38-8-5-11-41(38)32-56-50)27-45(26-43)54(63)60(3)48-23-17-36(18-24-48)51-30-39-9-6-12-42(39)33-57-51/h13-33H,4-12H2,1-3H3
InChIKeySFDDUTKLUGAXQK-UHFFFAOYSA-N
MW829.02 g/mol
LogP10.17
Rot. Bonds9

About 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide (PubChem CID 126638671) has the molecular formula C54H48N6O3 and a molecular weight of 829.02 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
PubChem CID126638671
Molecular FormulaC54H48N6O3
Molecular Weight829.02 g/mol
Exact Mass828.38
IUPAC Name1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3cc4c(cn3)CCC4)cc2)cc(C(=O)N(C)c2ccc(-c3cc4c(cn3)CCC4)cc2)c1)c1ccc(-c2cc3c(cn2)CCC3)cc1
InChIInChI=1S/C54H48N6O3/c1-58(46-19-13-34(14-20-46)49-28-37-7-4-10-40(37)31-55-49)52(61)43-25-44(53(62)59(2)47-21-15-35(16-22-47)50-29-38-8-5-11-41(38)32-56-50)27-45(26-43)54(63)60(3)48-23-17-36(18-24-48)51-30-39-9-6-12-42(39)33-57-51/h13-33H,4-12H2,1-3H3
InChIKeySFDDUTKLUGAXQK-UHFFFAOYSA-N
XLogP10.17
TPSA99.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide 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 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide (CID 126638671) is 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide is CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3cc4c(cn3)CCC4)cc2)cc(C(=O)N(C)c2ccc(-c3cc4c(cn3)CCC4)cc2)c1)c1ccc(-c2cc3c(cn2)CCC3)cc1.
What is the InChIKey of 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
The InChIKey is SFDDUTKLUGAXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N6O3/c1-58(46-19-13-34(14-20-46)49-28-37-7-4-10-40(37)31-55-49)52(61)43-25-44(53(62)59(2)47-21-15-35(16-22-47)50-29-38-8-5-11-41(38)32-56-50)27-45(26-43)54(63)60(3)48-23-17-36(18-24-48)51-30-39-9-6-12-42(39)33-57-51/h13-33H,4-12H2,1-3H3.
What are the key properties of 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide has a molecular weight of 829.02 g/mol, XLogP of 10.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide is sourced from PubChem (CID 126638671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).