[4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol

C226H232O26S6 — CID 157170267

About [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol

[4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol (PubChem CID 157170267) has the molecular formula C226H232O26S6 and a molecular weight of 3556.72 g/mol. Its IUPAC name is [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol.

Molecular Properties

• Compound Name: [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
• PubChem CID: 157170267
• Molecular Formula: C226H232O26S6
• Molecular Weight: 3556.72 g/mol
• Exact Mass: 3553.52
• IUPAC Name: [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
• SMILES: CC=Cc1cc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)c(C=CC)c2)ccc1OC.COC(C)(C(=O)c1ccccc1)c1ccccc1.COc1ccc2cc1CC(C)SCCOCCOCCSC(C)Cc1cc(ccc1OC)C(C)(C)c1ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)c(c1)CC(C)SCCOCCOCCSC(C)Cc1cc(ccc1Oc1ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc(C(=O)c7ccc(C)cc7)cc6)cc5)cc4)cc3)cc1)C2(C)C.SCCOCCOCCS
• InChI: InChI=1S/C140H144O16S4.C64H58O6.C16H16O2.C6H14O2S2/c1-93-17-21-99(22-18-93)133(141)101-25-49-119(50-26-101)151-123-61-37-111(38-62-123)137(7,8)113-41-65-125(66-42-113)153-121-53-29-103(30-54-121)135(143)105-33-57-127(58-34-105)155-131-71-47-117-91-109(131)87-97(5)159-83-79-149-75-76-150-80-84-160-98(6)88-110-92-118(140(13,14)116-46-70-130(146-16)108(90-116)86-96(4)158-82-78-148-74-73-147-77-81-157-95(3)85-107-89-115(139(117,11)12)45-69-129(107)145-15)48-72-132(110)156-128-59-35-106(36-60-128)136(144)104-31-55-122(56-32-104)154-126-67-43-114(44-68-126)138(9,10)112-39-63-124(64-40-112)152-120-51-27-102(28-52-120)134(142)100-23-19-94(2)20-24-100;1-9-11-48-41-52(27-39-59(48)67-8)64(6,7)53-28-40-60(49(42-53)12-10-2)70-58-33-21-47(22-34-58)62(66)46-19-31-55(32-20-46)69-57-37-25-51(26-38-57)63(4,5)50-23-35-56(36-24-50)68-54-29-17-45(18-30-54)61(65)44-15-13-43(3)14-16-44;1-16(18-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;9-5-3-7-1-2-8-4-6-10/h17-72,89-92,95-98H,73-88H2,1-16H3;9-42H,1-8H3;3-12H,1-2H3;9-10H,1-6H2
• InChIKey: ANJNVYWHYKJYOL-UHFFFAOYSA-N
• XLogP: 54.61
• TPSA: 294.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 54
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3556.72
LogP ≤ 5	54.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol?

The IUPAC name of [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol (CID 157170267) is [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol.

What is the SMILES notation for [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol?

The canonical SMILES for [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol is CC=Cc1cc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)c(C=CC)c2)ccc1OC.COC(C)(C(=O)c1ccccc1)c1ccccc1.COc1ccc2cc1CC(C)SCCOCCOCCSC(C)Cc1cc(ccc1OC)C(C)(C)c1ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)c(c1)CC(C)SCCOCCOCCSC(C)Cc1cc(ccc1Oc1ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc(C(=O)c7ccc(C)cc7)cc6)cc5)cc4)cc3)cc1)C2(C)C.SCCOCCOCCS.

What is the InChIKey of [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol?

The InChIKey is ANJNVYWHYKJYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H144O16S4.C64H58O6.C16H16O2.C6H14O2S2/c1-93-17-21-99(22-18-93)133(141)101-25-49-119(50-26-101)151-123-61-37-111(38-62-123)137(7,8)113-41-65-125(66-42-113)153-121-53-29-103(30-54-121)135(143)105-33-57-127(58-34-105)155-131-71-47-117-91-109(131)87-97(5)159-83-79-149-75-76-150-80-84-160-98(6)88-110-92-118(140(13,14)116-46-70-130(146-16)108(90-116)86-96(4)158-82-78-148-74-73-147-77-81-157-95(3)85-107-89-115(139(117,11)12)45-69-129(107)145-15)48-72-132(110)156-128-59-35-106(36-60-128)136(144)104-31-55-122(56-32-104)154-126-67-43-114(44-68-126)138(9,10)112-39-63-124(64-40-112)152-120-51-27-102(28-52-120)134(142)100-23-19-94(2)20-24-100;1-9-11-48-41-52(27-39-59(48)67-8)64(6,7)53-28-40-60(49(42-53)12-10-2)70-58-33-21-47(22-34-58)62(66)46-19-31-55(32-20-46)69-57-37-25-51(26-38-57)63(4,5)50-23-35-56(36-24-50)68-54-29-17-45(18-30-54)61(65)44-15-13-43(3)14-16-44;1-16(18-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;9-5-3-7-1-2-8-4-6-10/h17-72,89-92,95-98H,73-88H2,1-16H3;9-42H,1-8H3;3-12H,1-2H3;9-10H,1-6H2.

What are the key properties of [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol?

[4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol has a molecular weight of 3556.72 g/mol, XLogP of 54.61, 54 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[2-[4-[4-[4-[[31,48-dimethoxy-2,2,9,20,27,27,34,45-octamethyl-23-[4-[4-[4-[2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-13,16,38,41-tetraoxa-10,19,35,44-tetrathiapentacyclo[45.3.1.13,7.122,26.128,32]tetrapentaconta-1(51),3(54),4,6,22,24,26(53),28(52),29,31,47,49-dodecaen-6-yl]oxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-methoxy-1,2-diphenylpropan-1-one;[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylphenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol is sourced from PubChem (CID 157170267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).