25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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

C60H72O9 — CID 101239745

IUPAC25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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
SMILESCCOc1c2cc(C(C)(C)c3ccc(OC)cc3)cc1COCc1cc(C(C)(C)c3ccc(OC)cc3)cc(c1OCC)COCc1cc(C(C)(C)c3ccc(OC)cc3)cc(c1OCC)COC2
InChIInChI=1S/C60H72O9/c1-13-67-55-40-28-49(58(4,5)46-16-22-52(61-10)23-17-46)29-41(55)35-65-37-43-31-51(60(8,9)48-20-26-54(63-12)27-21-48)33-45(57(43)69-15-3)39-66-38-44-32-50(30-42(36-64-34-40)56(44)68-14-2)59(6,7)47-18-24-53(62-11)25-19-47/h16-33H,13-15,34-39H2,1-12H3
InChIKeyWNUFWZUNUHVMKA-UHFFFAOYSA-N
MW937.23 g/mol
LogP13.35
Rot. Bonds15

About 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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

25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 101239745) has the molecular formula C60H72O9 and a molecular weight of 937.23 g/mol. Its IUPAC name is 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 Name25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 CID101239745
Molecular FormulaC60H72O9
Molecular Weight937.23 g/mol
Exact Mass936.52
IUPAC Name25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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
SMILESCCOc1c2cc(C(C)(C)c3ccc(OC)cc3)cc1COCc1cc(C(C)(C)c3ccc(OC)cc3)cc(c1OCC)COCc1cc(C(C)(C)c3ccc(OC)cc3)cc(c1OCC)COC2
InChIInChI=1S/C60H72O9/c1-13-67-55-40-28-49(58(4,5)46-16-22-52(61-10)23-17-46)29-41(55)35-65-37-43-31-51(60(8,9)48-20-26-54(63-12)27-21-48)33-45(57(43)69-15-3)39-66-38-44-32-50(30-42(36-64-34-40)56(44)68-14-2)59(6,7)47-18-24-53(62-11)25-19-47/h16-33H,13-15,34-39H2,1-12H3
InChIKeyWNUFWZUNUHVMKA-UHFFFAOYSA-N
XLogP13.35
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.23
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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

Related Compounds

5,11,17,23,29,35-hexatert-butyl-49,50,51,52-tetraethoxy-42-methoxy-38,46-dioxa-48-azanonacyclo[17.17.11.13,7.19,13.121,25.127,31.140,44.015,47.033,37]dopentaconta-1(36),3(52),4,6,9,11,13(51),15,17,19(47),21(50),22,24,27,29,31(49),33(37),34,40,42,44(48)-henicosaene
CID 15782667
1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene
CID 158192508
1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
CID 59043103
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651
8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene
CID 132567880
3-(4-tert-butylphenyl)-1-ethoxy-6-methoxyisoquinoline
CID 170561180
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
CID 118398991
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223

Frequently Asked Questions

What is the IUPAC name of 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 101239745) is 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 CCOc1c2cc(C(C)(C)c3ccc(OC)cc3)cc1COCc1cc(C(C)(C)c3ccc(OC)cc3)cc(c1OCC)COCc1cc(C(C)(C)c3ccc(OC)cc3)cc(c1OCC)COC2.
What is the InChIKey of 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 WNUFWZUNUHVMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H72O9/c1-13-67-55-40-28-49(58(4,5)46-16-22-52(61-10)23-17-46)29-41(55)35-65-37-43-31-51(60(8,9)48-20-26-54(63-12)27-21-48)33-45(57(43)69-15-3)39-66-38-44-32-50(30-42(36-64-34-40)56(44)68-14-2)59(6,7)47-18-24-53(62-11)25-19-47/h16-33H,13-15,34-39H2,1-12H3.
What are the key properties of 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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?
25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 937.23 g/mol, XLogP of 13.35, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26,27-triethoxy-7,15,23-tris[2-(4-methoxyphenyl)propan-2-yl]-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 101239745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).