7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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

C244H206F6N4O20 — CID 163508390

IUPAC7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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
SMILESCc1ccc(Oc2cccc(Oc3ccc(C(F)(F)F)cc3)c2N2C(=O)c3cc(Oc4ccc(C(C)(C)C)cc4)c4c5c(Oc6ccc(C(C)(C)C)cc6)cc6c7c(cc(Oc8ccc(C(C)(C)C)cc8)c(c8c(Oc9ccc(C(C)(C)C)cc9)cc(c3c48)C2=O)c75)C(=O)N(c2c(Oc3ccc(C)cc3)cccc2Oc2ccc(C(F)(F)F)cc2)C6=O)cc1.O=C1c2cc(Oc3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3c4c(Oc5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc5c6c(cc(Oc7cc(-c8ccccc8)cc(-c8ccccc8)c7)c(c7c(Oc8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc(c2c37)C(=O)N1c1c(CCC2CCCCC2)cccc1CCC1CCCCC1)c64)C(=O)N(c1c(CCC2CCCCC2)cccc1CCC1CCCCC1)C5=O
InChIInChI=1S/C140H122N2O8.C104H84F6N2O12/c143-137-119-87-123(147-115-79-107(95-47-21-5-22-48-95)75-108(80-115)96-49-23-6-24-50-96)129-131-125(149-117-83-111(99-55-29-9-30-56-99)77-112(84-117)100-57-31-10-32-58-100)89-121-128-122(140(146)142(139(121)145)136-105(73-69-93-43-17-3-18-44-93)65-38-66-106(136)74-70-94-45-19-4-20-46-94)90-126(150-118-85-113(101-59-33-11-34-60-101)78-114(86-118)102-61-35-12-36-62-102)132(134(128)131)130-124(148-116-81-109(97-51-25-7-26-52-97)76-110(82-116)98-53-27-8-28-54-98)88-120(127(119)133(129)130)138(144)141(137)135-103(71-67-91-39-13-1-14-40-91)63-37-64-104(135)72-68-92-41-15-2-16-42-92;1-57-21-37-65(38-22-57)117-77-17-15-19-79(119-67-49-33-63(34-50-67)103(105,106)107)93(77)111-95(113)73-53-81(121-69-41-25-59(26-42-69)99(3,4)5)87-89-83(123-71-45-29-61(30-46-71)101(9,10)11)55-75-86-76(98(116)112(97(75)115)94-78(118-66-39-23-58(2)24-40-66)18-16-20-80(94)120-68-51-35-64(36-52-68)104(108,109)110)56-84(124-72-47-31-62(32-48-72)102(12,13)14)90(92(86)89)88-82(54-74(96(111)114)85(73)91(87)88)122-70-43-27-60(28-44-70)100(6,7)8/h5-12,21-38,47-66,75-94H,1-4,13-20,39-46,67-74H2;15-56H,1-14H3
InChIKeyDAODVZDHDBOXMI-UHFFFAOYSA-N
MW3628.33 g/mol
LogP67.42
Rot. Bonds48

About 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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

7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 163508390) has the molecular formula C244H206F6N4O20 and a molecular weight of 3628.33 g/mol. Its IUPAC name is 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 Name7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 CID163508390
Molecular FormulaC244H206F6N4O20
Molecular Weight3628.33 g/mol
Exact Mass3625.51
IUPAC Name7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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
SMILESCc1ccc(Oc2cccc(Oc3ccc(C(F)(F)F)cc3)c2N2C(=O)c3cc(Oc4ccc(C(C)(C)C)cc4)c4c5c(Oc6ccc(C(C)(C)C)cc6)cc6c7c(cc(Oc8ccc(C(C)(C)C)cc8)c(c8c(Oc9ccc(C(C)(C)C)cc9)cc(c3c48)C2=O)c75)C(=O)N(c2c(Oc3ccc(C)cc3)cccc2Oc2ccc(C(F)(F)F)cc2)C6=O)cc1.O=C1c2cc(Oc3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3c4c(Oc5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc5c6c(cc(Oc7cc(-c8ccccc8)cc(-c8ccccc8)c7)c(c7c(Oc8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc(c2c37)C(=O)N1c1c(CCC2CCCCC2)cccc1CCC1CCCCC1)c64)C(=O)N(c1c(CCC2CCCCC2)cccc1CCC1CCCCC1)C5=O
InChIInChI=1S/C140H122N2O8.C104H84F6N2O12/c143-137-119-87-123(147-115-79-107(95-47-21-5-22-48-95)75-108(80-115)96-49-23-6-24-50-96)129-131-125(149-117-83-111(99-55-29-9-30-56-99)77-112(84-117)100-57-31-10-32-58-100)89-121-128-122(140(146)142(139(121)145)136-105(73-69-93-43-17-3-18-44-93)65-38-66-106(136)74-70-94-45-19-4-20-46-94)90-126(150-118-85-113(101-59-33-11-34-60-101)78-114(86-118)102-61-35-12-36-62-102)132(134(128)131)130-124(148-116-81-109(97-51-25-7-26-52-97)76-110(82-116)98-53-27-8-28-54-98)88-120(127(119)133(129)130)138(144)141(137)135-103(71-67-91-39-13-1-14-40-91)63-37-64-104(135)72-68-92-41-15-2-16-42-92;1-57-21-37-65(38-22-57)117-77-17-15-19-79(119-67-49-33-63(34-50-67)103(105,106)107)93(77)111-95(113)73-53-81(121-69-41-25-59(26-42-69)99(3,4)5)87-89-83(123-71-45-29-61(30-46-71)101(9,10)11)55-75-86-76(98(116)112(97(75)115)94-78(118-66-39-23-58(2)24-40-66)18-16-20-80(94)120-68-51-35-64(36-52-68)104(108,109)110)56-84(124-72-47-31-62(32-48-72)102(12,13)14)90(92(86)89)88-82(54-74(96(111)114)85(73)91(87)88)122-70-43-27-60(28-44-70)100(6,7)8/h5-12,21-38,47-66,75-94H,1-4,13-20,39-46,67-74H2;15-56H,1-14H3
InChIKeyDAODVZDHDBOXMI-UHFFFAOYSA-N
XLogP67.42
TPSA260.28 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds48
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003628.33
LogP ≤ 567.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'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 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 163508390) is 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 Cc1ccc(Oc2cccc(Oc3ccc(C(F)(F)F)cc3)c2N2C(=O)c3cc(Oc4ccc(C(C)(C)C)cc4)c4c5c(Oc6ccc(C(C)(C)C)cc6)cc6c7c(cc(Oc8ccc(C(C)(C)C)cc8)c(c8c(Oc9ccc(C(C)(C)C)cc9)cc(c3c48)C2=O)c75)C(=O)N(c2c(Oc3ccc(C)cc3)cccc2Oc2ccc(C(F)(F)F)cc2)C6=O)cc1.O=C1c2cc(Oc3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3c4c(Oc5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc5c6c(cc(Oc7cc(-c8ccccc8)cc(-c8ccccc8)c7)c(c7c(Oc8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc(c2c37)C(=O)N1c1c(CCC2CCCCC2)cccc1CCC1CCCCC1)c64)C(=O)N(c1c(CCC2CCCCC2)cccc1CCC1CCCCC1)C5=O.
What is the InChIKey of 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 DAODVZDHDBOXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H122N2O8.C104H84F6N2O12/c143-137-119-87-123(147-115-79-107(95-47-21-5-22-48-95)75-108(80-115)96-49-23-6-24-50-96)129-131-125(149-117-83-111(99-55-29-9-30-56-99)77-112(84-117)100-57-31-10-32-58-100)89-121-128-122(140(146)142(139(121)145)136-105(73-69-93-43-17-3-18-44-93)65-38-66-106(136)74-70-94-45-19-4-20-46-94)90-126(150-118-85-113(101-59-33-11-34-60-101)78-114(86-118)102-61-35-12-36-62-102)132(134(128)131)130-124(148-116-81-109(97-51-25-7-26-52-97)76-110(82-116)98-53-27-8-28-54-98)88-120(127(119)133(129)130)138(144)141(137)135-103(71-67-91-39-13-1-14-40-91)63-37-64-104(135)72-68-92-41-15-2-16-42-92;1-57-21-37-65(38-22-57)117-77-17-15-19-79(119-67-49-33-63(34-50-67)103(105,106)107)93(77)111-95(113)73-53-81(121-69-41-25-59(26-42-69)99(3,4)5)87-89-83(123-71-45-29-61(30-46-71)101(9,10)11)55-75-86-76(98(116)112(97(75)115)94-78(118-66-39-23-58(2)24-40-66)18-16-20-80(94)120-68-51-35-64(36-52-68)104(108,109)110)56-84(124-72-47-31-62(32-48-72)102(12,13)14)90(92(86)89)88-82(54-74(96(111)114)85(73)91(87)88)122-70-43-27-60(28-44-70)100(6,7)8/h5-12,21-38,47-66,75-94H,1-4,13-20,39-46,67-74H2;15-56H,1-14H3.
What are the key properties of 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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?
7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 3628.33 g/mol, XLogP of 67.42, 48 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-bis[2,6-bis(2-cyclohexylethyl)phenyl]-11,14,22,26-tetrakis(3,5-diphenylphenoxy)-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)-7,18-bis[2-(4-methylphenoxy)-6-[4-(trifluoromethyl)phenoxy]phenyl]-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 163508390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).