7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene

C57H66O6 — CID 11975276

IUPAC7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene
SMILESCC(C)(C)c1cc2c(OCc3ccccc3)c(c1)COCc1cc(C(C)(C)C)cc(c1OCc1ccccc1)COCc1cc(C(C)(C)C)cc(c1OCc1ccccc1)COC2
InChIInChI=1S/C57H66O6/c1-55(2,3)49-25-43-34-58-36-45-27-50(56(4,5)6)29-47(53(45)62-32-41-21-15-11-16-22-41)38-60-39-48-30-51(57(7,8)9)28-46(54(48)63-33-42-23-17-12-18-24-42)37-59-35-44(26-49)52(43)61-31-40-19-13-10-14-20-40/h10-30H,31-39H2,1-9H3
InChIKeyKDMPXJCWEGXITB-UHFFFAOYSA-N
MW847.15 g/mol
LogP13.78
Rot. Bonds9

About 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene

7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene (PubChem CID 11975276) has the molecular formula C57H66O6 and a molecular weight of 847.15 g/mol. Its IUPAC name is 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene.

Molecular Properties

Compound Name7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene
PubChem CID11975276
Molecular FormulaC57H66O6
Molecular Weight847.15 g/mol
Exact Mass846.49
IUPAC Name7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene
SMILESCC(C)(C)c1cc2c(OCc3ccccc3)c(c1)COCc1cc(C(C)(C)C)cc(c1OCc1ccccc1)COCc1cc(C(C)(C)C)cc(c1OCc1ccccc1)COC2
InChIInChI=1S/C57H66O6/c1-55(2,3)49-25-43-34-58-36-45-27-50(56(4,5)6)29-47(53(45)62-32-41-21-15-11-16-22-41)38-60-39-48-30-51(57(7,8)9)28-46(54(48)63-33-42-23-17-12-18-24-42)37-59-35-44(26-49)52(43)61-31-40-19-13-10-14-20-40/h10-30H,31-39H2,1-9H3
InChIKeyKDMPXJCWEGXITB-UHFFFAOYSA-N
XLogP13.78
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.15
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene 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 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene?
The IUPAC name of 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene (CID 11975276) is 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene.
What is the SMILES notation for 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene?
The canonical SMILES for 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene is CC(C)(C)c1cc2c(OCc3ccccc3)c(c1)COCc1cc(C(C)(C)C)cc(c1OCc1ccccc1)COCc1cc(C(C)(C)C)cc(c1OCc1ccccc1)COC2.
What is the InChIKey of 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene?
The InChIKey is KDMPXJCWEGXITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H66O6/c1-55(2,3)49-25-43-34-58-36-45-27-50(56(4,5)6)29-47(53(45)62-32-41-21-15-11-16-22-41)38-60-39-48-30-51(57(7,8)9)28-46(54(48)63-33-42-23-17-12-18-24-42)37-59-35-44(26-49)52(43)61-31-40-19-13-10-14-20-40/h10-30H,31-39H2,1-9H3.
What are the key properties of 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene?
7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene has a molecular weight of 847.15 g/mol, XLogP of 13.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15,23-tritert-butyl-25,26,27-tris(phenylmethoxy)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene is sourced from PubChem (CID 11975276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).