11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

C173H178N4O17 — CID 163184666

IUPAC11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
SMILESCCCCCCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1ccc(-c2cc(C(C)(C)C)cc3c2Oc2c(N4C(=O)c6cc(Oc7ccc(C(C)(C)C)cc7)c7c8c(Oc9ccc(C(C)(C)C)cc9)cc9c%10c(cc(Oc%11ccc(C(C)(C)C)cc%11)c(c%11c(Oc%12ccc(C(C)(C)C)cc%12)cc(c6c7%11)C4=O)c%108)C(=O)N(CCCCCCCC)C9=O)cc(C(C)(C)C)cc2C3(C)C)cc1)C5=O
InChIInChI=1S/C173H178N4O17/c1-35-37-39-41-43-45-83-174-155(178)118-89-129(186-109-67-49-98(50-68-109)163(3,4)5)141-145-133(190-113-75-57-102(58-76-113)167(15,16)17)93-122-139-123(94-134(191-114-77-59-103(60-78-114)168(18,19)20)146(151(139)145)142-130(90-119(156(174)179)137(118)149(141)142)187-110-69-51-99(52-70-110)164(6,7)8)160(183)176(159(122)182)108-65-47-97(48-66-108)117-85-106(171(27,28)29)86-126-153(117)194-154-127(173(126,33)34)87-107(172(30,31)32)88-128(154)177-161(184)124-95-135(192-115-79-61-104(62-80-115)169(21,22)23)147-143-131(188-111-71-53-100(54-72-111)165(9,10)11)91-120-138-121(158(181)175(157(120)180)84-46-44-42-40-38-36-2)92-132(189-112-73-55-101(56-74-112)166(12,13)14)144(150(138)143)148-136(96-125(162(177)185)140(124)152(147)148)193-116-81-63-105(64-82-116)170(24,25)26/h47-82,85-96H,35-46,83-84H2,1-34H3
InChIKeyHPHWMTUVAPWGGC-UHFFFAOYSA-N
MW2585.34 g/mol
LogP46.71
Rot. Bonds33

About 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (PubChem CID 163184666) has the molecular formula C173H178N4O17 and a molecular weight of 2585.34 g/mol. Its IUPAC name is 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
PubChem CID163184666
Molecular FormulaC173H178N4O17
Molecular Weight2585.34 g/mol
Exact Mass2583.32
IUPAC Name11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
SMILESCCCCCCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1ccc(-c2cc(C(C)(C)C)cc3c2Oc2c(N4C(=O)c6cc(Oc7ccc(C(C)(C)C)cc7)c7c8c(Oc9ccc(C(C)(C)C)cc9)cc9c%10c(cc(Oc%11ccc(C(C)(C)C)cc%11)c(c%11c(Oc%12ccc(C(C)(C)C)cc%12)cc(c6c7%11)C4=O)c%108)C(=O)N(CCCCCCCC)C9=O)cc(C(C)(C)C)cc2C3(C)C)cc1)C5=O
InChIInChI=1S/C173H178N4O17/c1-35-37-39-41-43-45-83-174-155(178)118-89-129(186-109-67-49-98(50-68-109)163(3,4)5)141-145-133(190-113-75-57-102(58-76-113)167(15,16)17)93-122-139-123(94-134(191-114-77-59-103(60-78-114)168(18,19)20)146(151(139)145)142-130(90-119(156(174)179)137(118)149(141)142)187-110-69-51-99(52-70-110)164(6,7)8)160(183)176(159(122)182)108-65-47-97(48-66-108)117-85-106(171(27,28)29)86-126-153(117)194-154-127(173(126,33)34)87-107(172(30,31)32)88-128(154)177-161(184)124-95-135(192-115-79-61-104(62-80-115)169(21,22)23)147-143-131(188-111-71-53-100(54-72-111)165(9,10)11)91-120-138-121(158(181)175(157(120)180)84-46-44-42-40-38-36-2)92-132(189-112-73-55-101(56-74-112)166(12,13)14)144(150(138)143)148-136(96-125(162(177)185)140(124)152(147)148)193-116-81-63-105(64-82-116)170(24,25)26/h47-82,85-96H,35-46,83-84H2,1-34H3
InChIKeyHPHWMTUVAPWGGC-UHFFFAOYSA-N
XLogP46.71
TPSA232.59 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds33
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002585.34
LogP ≤ 546.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The IUPAC name of 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (CID 163184666) is 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The canonical SMILES for 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is CCCCCCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1ccc(-c2cc(C(C)(C)C)cc3c2Oc2c(N4C(=O)c6cc(Oc7ccc(C(C)(C)C)cc7)c7c8c(Oc9ccc(C(C)(C)C)cc9)cc9c%10c(cc(Oc%11ccc(C(C)(C)C)cc%11)c(c%11c(Oc%12ccc(C(C)(C)C)cc%12)cc(c6c7%11)C4=O)c%108)C(=O)N(CCCCCCCC)C9=O)cc(C(C)(C)C)cc2C3(C)C)cc1)C5=O.
What is the InChIKey of 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The InChIKey is HPHWMTUVAPWGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C173H178N4O17/c1-35-37-39-41-43-45-83-174-155(178)118-89-129(186-109-67-49-98(50-68-109)163(3,4)5)141-145-133(190-113-75-57-102(58-76-113)167(15,16)17)93-122-139-123(94-134(191-114-77-59-103(60-78-114)168(18,19)20)146(151(139)145)142-130(90-119(156(174)179)137(118)149(141)142)187-110-69-51-99(52-70-110)164(6,7)8)160(183)176(159(122)182)108-65-47-97(48-66-108)117-85-106(171(27,28)29)86-126-153(117)194-154-127(173(126,33)34)87-107(172(30,31)32)88-128(154)177-161(184)124-95-135(192-115-79-61-104(62-80-115)169(21,22)23)147-143-131(188-111-71-53-100(54-72-111)165(9,10)11)91-120-138-121(158(181)175(157(120)180)84-46-44-42-40-38-36-2)92-132(189-112-73-55-101(56-74-112)166(12,13)14)144(150(138)143)148-136(96-125(162(177)185)140(124)152(147)148)193-116-81-63-105(64-82-116)170(24,25)26/h47-82,85-96H,35-46,83-84H2,1-34H3.
What are the key properties of 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone has a molecular weight of 2585.34 g/mol, XLogP of 46.71, 33 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7-[4-[2,7-ditert-butyl-9,9-dimethyl-5-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-octyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]xanthen-4-yl]phenyl]-18-octyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 163184666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).