[4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium

C199H168N2O8P8+8 — CID 176741387

IUPAC[4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccc([P+](C)(c4ccccc4)c4ccccc4)cc3-c3ccc([PH+](c4ccccc4)c4ccccc4)cc3)c3c4c(Oc5ccc([P+](C)(c6ccccc6)c6ccccc6)cc5-c5ccc([P+](C)(c6ccccc6)c6ccccc6)cc5)cc5c6c(cc(Oc7ccc([P+](C)(c8ccccc8)c8ccccc8)cc7-c7ccc([P+](C)(c8ccccc8)c8ccccc8)cc7)c(c7c(Oc8ccc([P+](C)(c9ccccc9)c9ccccc9)cc8-c8ccc([P+](C)(c9ccccc9)c9ccccc9)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O
InChIInChI=1S/C199H167N2O8P8/c1-134(2)166-98-64-99-167(135(3)4)194(166)200-196(202)174-130-182(206-178-122-118-162(214(12,151-82-48-24-49-83-151)152-84-50-25-51-85-152)126-170(178)138-102-110-144(111-103-138)210(142-66-32-16-33-67-142)143-68-34-17-35-69-143)188-189-183(207-179-123-119-163(215(13,153-86-52-26-53-87-153)154-88-54-27-55-89-154)127-171(179)139-104-112-159(113-105-139)211(9,145-70-36-18-37-71-145)146-72-38-19-39-73-146)131-176-187-177(199(205)201(198(176)204)195-168(136(5)6)100-65-101-169(195)137(7)8)133-185(209-181-125-121-165(217(15,157-94-60-30-61-95-157)158-96-62-31-63-97-158)129-173(181)141-108-116-161(117-109-141)213(11,149-78-44-22-45-79-149)150-80-46-23-47-81-150)191(193(187)189)190-184(132-175(197(200)203)186(174)192(188)190)208-180-124-120-164(216(14,155-90-56-28-57-91-155)156-92-58-29-59-93-156)128-172(180)140-106-114-160(115-107-140)212(10,147-74-40-20-41-75-147)148-76-42-21-43-77-148/h16-137H,1-15H3/q+7/p+1
InChIKeyODQGASYVOYGLGX-UHFFFAOYSA-O
MW2963.33 g/mol
LogP40.63
Rot. Bonds42

About [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium

[4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium (PubChem CID 176741387) has the molecular formula C199H168N2O8P8+8 and a molecular weight of 2963.33 g/mol. Its IUPAC name is [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium.

Molecular Properties

Compound Name[4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium
PubChem CID176741387
Molecular FormulaC199H168N2O8P8+8
Molecular Weight2963.33 g/mol
Exact Mass2961.07
IUPAC Name[4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccc([P+](C)(c4ccccc4)c4ccccc4)cc3-c3ccc([PH+](c4ccccc4)c4ccccc4)cc3)c3c4c(Oc5ccc([P+](C)(c6ccccc6)c6ccccc6)cc5-c5ccc([P+](C)(c6ccccc6)c6ccccc6)cc5)cc5c6c(cc(Oc7ccc([P+](C)(c8ccccc8)c8ccccc8)cc7-c7ccc([P+](C)(c8ccccc8)c8ccccc8)cc7)c(c7c(Oc8ccc([P+](C)(c9ccccc9)c9ccccc9)cc8-c8ccc([P+](C)(c9ccccc9)c9ccccc9)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O
InChIInChI=1S/C199H167N2O8P8/c1-134(2)166-98-64-99-167(135(3)4)194(166)200-196(202)174-130-182(206-178-122-118-162(214(12,151-82-48-24-49-83-151)152-84-50-25-51-85-152)126-170(178)138-102-110-144(111-103-138)210(142-66-32-16-33-67-142)143-68-34-17-35-69-143)188-189-183(207-179-123-119-163(215(13,153-86-52-26-53-87-153)154-88-54-27-55-89-154)127-171(179)139-104-112-159(113-105-139)211(9,145-70-36-18-37-71-145)146-72-38-19-39-73-146)131-176-187-177(199(205)201(198(176)204)195-168(136(5)6)100-65-101-169(195)137(7)8)133-185(209-181-125-121-165(217(15,157-94-60-30-61-95-157)158-96-62-31-63-97-158)129-173(181)141-108-116-161(117-109-141)213(11,149-78-44-22-45-79-149)150-80-46-23-47-81-150)191(193(187)189)190-184(132-175(197(200)203)186(174)192(188)190)208-180-124-120-164(216(14,155-90-56-28-57-91-155)156-92-58-29-59-93-156)128-172(180)140-106-114-160(115-107-140)212(10,147-74-40-20-41-75-147)148-76-42-21-43-77-148/h16-137H,1-15H3/q+7/p+1
InChIKeyODQGASYVOYGLGX-UHFFFAOYSA-O
XLogP40.63
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds42
Heavy Atoms217
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002963.33
LogP ≤ 540.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', '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 [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium with MolForge

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Related Compounds

7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetrakis(2-propan-2-ylphenoxy)-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 135251979
[4-[2-[[22,26-bis[4-chloro-2-(4-chlorophenyl)phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-14-[4-(trimethylazaniumyl)-2-[4-(trimethylazaniumyl)phenyl]phenoxy]-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-11-yl]oxy]-5-(trimethylazaniumyl)phenyl]phenyl]-trimethylazanium
CID 168853449
7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-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-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-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-6,17-dione;methane
CID 157225170
7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetrakis(4-hydroxyphenoxy)-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 101354767
5-bromo-16-[2,6-di(propan-2-yl)phenyl]-12,20-diphenoxy-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2(23),3,5,7,9,11,13,18,21-decaene-15,17-dione
CID 87694785
11-cyclohexa-1,3-dien-1-yloxy-7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-triphenoxy-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 163925172
4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-22,26-bis(3-phenylphenoxy)-14-[4-sulfo-3-(3-sulfophenyl)phenoxy]-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-11-yl]oxy]-2-(3-sulfophenyl)benzenesulfonic acid
CID 176741380
7,18-bis[2,6-di(propan-2-yl)phenyl]-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(12),4(9),5(25),10,13(23),14,16(24),20-decaene-11,14,22,26-tetracarbonitrile
CID 118893722
7,18-bis[2,6-di(propan-2-yl)phenyl]-11,22-bis[4-[2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]oxyphenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 59847159
11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone
CID 154620527
tetrabenzyl 1-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl]oxy]perylene-3,4,9,10-tetracarboxylate
CID 132838975
tetrasodium;4-[[7,22-bis[2,6-di(propan-2-yl)phenyl]-6,8,21,23-tetraoxo-26,34,36-tris(4-sulfonatophenoxy)-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(30),2(36),3,5(35),9,11,13(31),14,16(32),17(34),18,20(33),24,26,28-pentadecaen-11-yl]oxy]benzenesulfonate
CID 102082886

Frequently Asked Questions

What is the IUPAC name of [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium?
The IUPAC name of [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium (CID 176741387) is [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium.
What is the SMILES notation for [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium?
The canonical SMILES for [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium is CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccc([P+](C)(c4ccccc4)c4ccccc4)cc3-c3ccc([PH+](c4ccccc4)c4ccccc4)cc3)c3c4c(Oc5ccc([P+](C)(c6ccccc6)c6ccccc6)cc5-c5ccc([P+](C)(c6ccccc6)c6ccccc6)cc5)cc5c6c(cc(Oc7ccc([P+](C)(c8ccccc8)c8ccccc8)cc7-c7ccc([P+](C)(c8ccccc8)c8ccccc8)cc7)c(c7c(Oc8ccc([P+](C)(c9ccccc9)c9ccccc9)cc8-c8ccc([P+](C)(c9ccccc9)c9ccccc9)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O.
What is the InChIKey of [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium?
The InChIKey is ODQGASYVOYGLGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C199H167N2O8P8/c1-134(2)166-98-64-99-167(135(3)4)194(166)200-196(202)174-130-182(206-178-122-118-162(214(12,151-82-48-24-49-83-151)152-84-50-25-51-85-152)126-170(178)138-102-110-144(111-103-138)210(142-66-32-16-33-67-142)143-68-34-17-35-69-143)188-189-183(207-179-123-119-163(215(13,153-86-52-26-53-87-153)154-88-54-27-55-89-154)127-171(179)139-104-112-159(113-105-139)211(9,145-70-36-18-37-71-145)146-72-38-19-39-73-146)131-176-187-177(199(205)201(198(176)204)195-168(136(5)6)100-65-101-169(195)137(7)8)133-185(209-181-125-121-165(217(15,157-94-60-30-61-95-157)158-96-62-31-63-97-158)129-173(181)141-108-116-161(117-109-141)213(11,149-78-44-22-45-79-149)150-80-46-23-47-81-150)191(193(187)189)190-184(132-175(197(200)203)186(174)192(188)190)208-180-124-120-164(216(14,155-90-56-28-57-91-155)156-92-58-29-59-93-156)128-172(180)140-106-114-160(115-107-140)212(10,147-74-40-20-41-75-147)148-76-42-21-43-77-148/h16-137H,1-15H3/q+7/p+1.
What are the key properties of [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium?
[4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium has a molecular weight of 2963.33 g/mol, XLogP of 40.63, 42 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris[4-[methyl(diphenyl)phosphaniumyl]-2-[4-[methyl(diphenyl)phosphaniumyl]phenyl]phenoxy]-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-11-yl]oxy]-3-(4-diphenylphosphaniumylphenyl)phenyl]-methyl-diphenylphosphanium is sourced from PubChem (CID 176741387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).