CID 140708438

C50H86N4O8 — CID 140708438

IUPAC—
SMILESCC(C)C1(C)CC(Oc2cc(OC3CC(C)(C)N([O])C(C)(C(C)C)C3)c(OC3CC(C)(C)N([O])C(C)(C(C)C)C3)cc2OC2CC(C)(C)N([O])C(C)(C(C)C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C50H86N4O8/c1-31(2)47(17)27-35(23-43(9,10)51(47)55)59-39-21-41(61-37-25-45(13,14)53(57)49(19,29-37)33(5)6)42(62-38-26-46(15,16)54(58)50(20,30-38)34(7)8)22-40(39)60-36-24-44(11,12)52(56)48(18,28-36)32(3)4/h21-22,31-38H,23-30H2,1-20H3
InChIKeyIDFSKPDXOUMJSB-UHFFFAOYSA-N
MW871.26 g/mol
LogP11.21
Rot. Bonds12

About CID 140708438

CID 140708438 (PubChem CID 140708438) has the molecular formula C50H86N4O8 and a molecular weight of 871.26 g/mol.

Molecular Properties

Compound NameCID 140708438
PubChem CID140708438
Molecular FormulaC50H86N4O8
Molecular Weight871.26 g/mol
Exact Mass870.64
IUPAC Name—
SMILESCC(C)C1(C)CC(Oc2cc(OC3CC(C)(C)N([O])C(C)(C(C)C)C3)c(OC3CC(C)(C)N([O])C(C)(C(C)C)C3)cc2OC2CC(C)(C)N([O])C(C)(C(C)C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C50H86N4O8/c1-31(2)47(17)27-35(23-43(9,10)51(47)55)59-39-21-41(61-37-25-45(13,14)53(57)49(19,29-37)33(5)6)42(62-38-26-46(15,16)54(58)50(20,30-38)34(7)8)22-40(39)60-36-24-44(11,12)52(56)48(18,28-36)32(3)4/h21-22,31-38H,23-30H2,1-20H3
InChIKeyIDFSKPDXOUMJSB-UHFFFAOYSA-N
XLogP11.21
TPSA129.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.26
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze CID 140708438 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

4-[2,5-Difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
CID 139317266
4-[2-Fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
CID 139317414
4-[2-Fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
CID 139317699
[4-Fluoro-2,3,5-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]phenyl] 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 139317711
Tetrakis-(2,2,6,6-tetramethyl-4-piperidylhydroxy)phenylsilane
CID 129703118
1-Butoxy-2,6-di(propan-2-yl)-4-[2,4,5-tris[[1-butoxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]piperidine
CID 121244730
1-Hydroxy-4-[3-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy-4-(1,2,2,6-tetramethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2,6-trimethyl-6-propan-2-ylpiperidine
CID 121247840
2,2-Dimethyl-6-propan-2-yl-4-[2,4,5-tris[(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine
CID 121248094
4-[2-[3,4-Bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine
CID 121248224
1,2,2,6-Tetramethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine
CID 129060293
1-Hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine
CID 129060294
4-[2,5-Bis[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]-1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidine
CID 129060363

Frequently Asked Questions

What is the IUPAC name of CID 140708438?
The IUPAC name of CID 140708438 (CID 140708438) is not available.
What is the SMILES notation for CID 140708438?
The canonical SMILES for CID 140708438 is CC(C)C1(C)CC(Oc2cc(OC3CC(C)(C)N([O])C(C)(C(C)C)C3)c(OC3CC(C)(C)N([O])C(C)(C(C)C)C3)cc2OC2CC(C)(C)N([O])C(C)(C(C)C)C2)CC(C)(C)N1[O].
What is the InChIKey of CID 140708438?
The InChIKey is IDFSKPDXOUMJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H86N4O8/c1-31(2)47(17)27-35(23-43(9,10)51(47)55)59-39-21-41(61-37-25-45(13,14)53(57)49(19,29-37)33(5)6)42(62-38-26-46(15,16)54(58)50(20,30-38)34(7)8)22-40(39)60-36-24-44(11,12)52(56)48(18,28-36)32(3)4/h21-22,31-38H,23-30H2,1-20H3.
What are the key properties of CID 140708438?
CID 140708438 has a molecular weight of 871.26 g/mol, XLogP of 11.21, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140708438 is sourced from PubChem (CID 140708438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).