16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone

C48H54N14O4 — CID 102332806

IUPAC16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone
SMILESO=C1N2CN3CCNCCN4CN5C(=O)N6CN(CCNCCN7CN1C1(c8ccccc8)N(C7)C(=O)N(C3)C21c1ccccc1)CN1C(=O)N(C4)C5(c2ccccc2)C61c1ccccc1
InChIInChI=1S/C48H54N14O4/c63-41-55-29-51-25-21-49-23-27-53-33-59-43(65)61-35-54(36-62-44(66)60(34-53)47(59,39-17-9-3-10-18-39)48(61,62)40-19-11-4-12-20-40)28-24-50-22-26-52-31-57(41)46(38-15-7-2-8-16-38)45(55,37-13-5-1-6-14-37)56(30-51)42(64)58(46)32-52/h1-20,49-50H,21-36H2
InChIKeyRQBICDDMRRRVOC-UHFFFAOYSA-N
MW891.05 g/mol
LogP2.46
Rot. Bonds4

About 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone

16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone (PubChem CID 102332806) has the molecular formula C48H54N14O4 and a molecular weight of 891.05 g/mol. Its IUPAC name is 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone.

Molecular Properties

Compound Name16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone
PubChem CID102332806
Molecular FormulaC48H54N14O4
Molecular Weight891.05 g/mol
Exact Mass890.45
IUPAC Name16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone
SMILESO=C1N2CN3CCNCCN4CN5C(=O)N6CN(CCNCCN7CN1C1(c8ccccc8)N(C7)C(=O)N(C3)C21c1ccccc1)CN1C(=O)N(C4)C5(c2ccccc2)C61c1ccccc1
InChIInChI=1S/C48H54N14O4/c63-41-55-29-51-25-21-49-23-27-53-33-59-43(65)61-35-54(36-62-44(66)60(34-53)47(59,39-17-9-3-10-18-39)48(61,62)40-19-11-4-12-20-40)28-24-50-22-26-52-31-57(41)46(38-15-7-2-8-16-38)45(55,37-13-5-1-6-14-37)56(30-51)42(64)58(46)32-52/h1-20,49-50H,21-36H2
InChIKeyRQBICDDMRRRVOC-UHFFFAOYSA-N
XLogP2.46
TPSA131.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500891.05
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone 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 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone?
The IUPAC name of 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone (CID 102332806) is 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone.
What is the SMILES notation for 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone?
The canonical SMILES for 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone is O=C1N2CN3CCNCCN4CN5C(=O)N6CN(CCNCCN7CN1C1(c8ccccc8)N(C7)C(=O)N(C3)C21c1ccccc1)CN1C(=O)N(C4)C5(c2ccccc2)C61c1ccccc1.
What is the InChIKey of 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone?
The InChIKey is RQBICDDMRRRVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54N14O4/c63-41-55-29-51-25-21-49-23-27-53-33-59-43(65)61-35-54(36-62-44(66)60(34-53)47(59,39-17-9-3-10-18-39)48(61,62)40-19-11-4-12-20-40)28-24-50-22-26-52-31-57(41)46(38-15-7-2-8-16-38)45(55,37-13-5-1-6-14-37)56(30-51)42(64)58(46)32-52/h1-20,49-50H,21-36H2.
What are the key properties of 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone?
16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone has a molecular weight of 891.05 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 16,17,33,34-tetraphenyl-1,3,5,8,11,13,15,18,20,22,25,28,30,32-tetradecazanonacyclo[26.6.1.15,32.111,18.115,22.03,33.013,17.016,20.030,34]octatriacontane-2,14,19,31-tetrone is sourced from PubChem (CID 102332806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).