bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole

C135H155Cl2N9O19 — CID 158373129

IUPACbis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole
SMILESC.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCO)cc4)c4ccc([nH]4)c(-c4ccc(OCCO)cc4)c4nc(c(-c5ccc(OCCO)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.CCCCCCCCCCOc1ccc(C=O)cc1.ClCCl.O=Cc1ccc(OCCO)cc1.O=Cc1ccc(OCCO)cc1.OCCOc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1.OCCOc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1.c1cc[nH]c1
InChIInChI=1S/C60H62N4O7.2C17H18N2O2.C17H26O2.2C9H10O3.C4H5N.CH2Cl2.CH4/c1-2-3-4-5-6-7-8-9-37-68-45-18-10-41(11-19-45)57-49-26-28-51(61-49)58(42-12-20-46(21-13-42)69-38-34-65)53-30-32-55(63-53)60(44-16-24-48(25-17-44)71-40-36-67)56-33-31-54(64-56)59(52-29-27-50(57)62-52)43-14-22-47(23-15-43)70-39-35-66;2*20-11-12-21-14-7-5-13(6-8-14)17(15-3-1-9-18-15)16-4-2-10-19-16;1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17;2*10-5-6-12-9-3-1-8(7-11)2-4-9;1-2-4-5-3-1;2-1-3;/h10-33,61,64-67H,2-9,34-40H2,1H3;2*1-10,17-20H,11-12H2;10-13,15H,2-9,14H2,1H3;2*1-4,7,10H,5-6H2;1-5H;1H2;1H4/b57-49-,57-50-,58-51-,58-53-,59-52-,59-54-,60-55-,60-56-;;;;;;;;
InChIKeyGUWFUGQVXYXRFU-MVVHHDOVSA-N
MW2278.67 g/mol
LogP28.58
Rot. Bonds54

About bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole

bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole (PubChem CID 158373129) has the molecular formula C135H155Cl2N9O19 and a molecular weight of 2278.67 g/mol. Its IUPAC name is bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole.

Molecular Properties

Compound Namebis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole
PubChem CID158373129
Molecular FormulaC135H155Cl2N9O19
Molecular Weight2278.67 g/mol
Exact Mass2276.08
IUPAC Namebis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole
SMILESC.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCO)cc4)c4ccc([nH]4)c(-c4ccc(OCCO)cc4)c4nc(c(-c5ccc(OCCO)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.CCCCCCCCCCOc1ccc(C=O)cc1.ClCCl.O=Cc1ccc(OCCO)cc1.O=Cc1ccc(OCCO)cc1.OCCOc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1.OCCOc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1.c1cc[nH]c1
InChIInChI=1S/C60H62N4O7.2C17H18N2O2.C17H26O2.2C9H10O3.C4H5N.CH2Cl2.CH4/c1-2-3-4-5-6-7-8-9-37-68-45-18-10-41(11-19-45)57-49-26-28-51(61-49)58(42-12-20-46(21-13-42)69-38-34-65)53-30-32-55(63-53)60(44-16-24-48(25-17-44)71-40-36-67)56-33-31-54(64-56)59(52-29-27-50(57)62-52)43-14-22-47(23-15-43)70-39-35-66;2*20-11-12-21-14-7-5-13(6-8-14)17(15-3-1-9-18-15)16-4-2-10-19-16;1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17;2*10-5-6-12-9-3-1-8(7-11)2-4-9;1-2-4-5-3-1;2-1-3;/h10-33,61,64-67H,2-9,34-40H2,1H3;2*1-10,17-20H,11-12H2;10-13,15H,2-9,14H2,1H3;2*1-4,7,10H,5-6H2;1-5H;1H2;1H4/b57-49-,57-50-,58-51-,58-53-,59-52-,59-54-,60-55-,60-56-;;;;;;;;
InChIKeyGUWFUGQVXYXRFU-MVVHHDOVSA-N
XLogP28.58
TPSA412.20 Ų
H-Bond Donors14
H-Bond Acceptors21
Rotatable Bonds54
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002278.67
LogP ≤ 528.58
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole with MolForge

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Related Compounds

4-[15-(4-cyanophenyl)-20-(4-methoxyphenyl)-10-[4-[3-(methylamino)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]benzonitrile;2-(1H-pyrrol-3-yl)acetaldehyde
CID 143451048
CID 157228454
CID 157228454
5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin;5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
CID 157374963
acetic acid;4-[10,20-bis(4-carboxyphenyl)-15-(4-formyloxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid;4-formylbenzoic acid;1H-pyrrole
CID 157380747
dipotassium;3-bromopropan-1-ol;3-[3-[15-(3-butoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]propyl methanesulfonate;cyclopenta-1,3-diene;bis(2-(cyclopenta-1,3-dien-1-ylmethyl)-1H-pyrrole);dichloromethane;N,N-diethylethanamine;hydride;3-hydroxybenzaldehyde;bis(3-(3-hydroxypropoxy)benzaldehyde);bis(3-[3-[15-[3-(3-hydroxypropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propan-1-ol);methane;methanesulfonyl chloride;oxido formate
CID 157522288
dipotassium;acetic acid;4-[4-[15-[4-(4-acetyloxybutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butyl acetate;4-[4-[15-[4-(4-acetyloxybutoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]butyl acetate;4-bromobutyl acetate;formaldehyde;4-(4-formylphenoxy)butyl acetate;hydride;4-hydroxybenzaldehyde;manganese(2+);methane;oxido formate;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
CID 157528902
dipotassium;sodium;acetic acid;(2-acetyloxy-6-ethyl-4,5-dimethyloxan-3-yl) acetate;[4-acetyloxy-5-hydroxy-3-methyl-6-[3-[4-[15-[4-[3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]propoxy]oxan-2-yl]methyl acetate;3-bromopropan-1-ol;1,2-dihydropyrrol-2-ylium;formaldehyde;hydride;4-hydroxybenzaldehyde;2-(hydroxymethyl)-6-[3-[4-[15-[4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]propoxy]oxane-3,4,5-triol;4-(3-hydroxypropoxy)benzaldehyde;bis(manganese(2+));methane;methanolate;oxido formate;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole;[3,4,5-triacetyloxy-6-[3-(4-formylphenoxy)propoxy]oxan-2-yl]methyl acetate;[3,4,5-triacetyloxy-6-[3-[4-[15-[4-[3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propoxy]oxan-2-yl]methyl acetate;hydrate
CID 157557856
dipotassium;2-bromoethanol;4-decoxybenzaldehyde;bis(2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol);dichloromethane;hydride;4-hydroxybenzaldehyde;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;methanesulfonyl chloride;oxido formate;1H-pyrrole
CID 157975839
tripotassium;acetic acid;4-[4-[15-[4-(3-carboxypropoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]butanoic acid;deuterium monohydride;ethanol;ethyl 4-bromobutanoate;ethyl 4-[4-[15-[4-(4-ethoxy-4-oxobutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate;ethyl 4-[4-[15-[4-(4-ethoxy-4-oxobutoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]butanoate;ethyl 4-(4-formylphenoxy)butanoate;formaldehyde;hydride;4-hydroxybenzaldehyde;bis(manganese(2+));oxido formate;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole;hydroxide
CID 157976805
5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;2-methoxybenzaldehyde;oxolane;1H-pyrrole;5,10,15,20-tetrakis[2-(2-bromoethoxy)phenyl]-21,23-dihydroporphyrin;tribromoborane;trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium;trimethyl-[2-[2-[10-[2-[2-(methylamino)ethoxy]phenyl]-15-(2-propoxyphenyl)-20-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]azanium;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;octabromide
CID 158236839
benzene-1,4-dicarbonyl chloride;(4-formylphenyl)-methylideneoxidanium;4-O-[4-[24-[4-(4-methoxycarbonylbenzoyl)oxyphenyl]-12,17-bis(4-methylphenyl)-22,25-diaza-2,23-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13(23),14,16,18,20-undecaen-7-yl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;1H-pyrrole;5,10,15,20-tetrakis(4-methoxyphenyl)-21,23-dihydroporphyrin;4-[10,15,20-tris(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 158457321
4-[10,20-bis[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]-15-(4-isocyanophenyl)-21,23-dihydroporphyrin-5-yl]benzonitrile;4-[bis(1H-pyrrol-2-yl)methyl]benzonitrile;4-[3-(1,3-dioxoisoindol-2-yl)propoxy]benzaldehyde;4-[10-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]-15-(4-isocyanophenyl)-20-(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]benzonitrile;4-[15-(4-isocyanophenyl)-10,20-bis(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]benzonitrile;methane;4-methoxybenzaldehyde
CID 159060721

Frequently Asked Questions

What is the IUPAC name of bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole?
The IUPAC name of bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole (CID 158373129) is bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole.
What is the SMILES notation for bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole?
The canonical SMILES for bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole is C.CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCO)cc4)c4ccc([nH]4)c(-c4ccc(OCCO)cc4)c4nc(c(-c5ccc(OCCO)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.CCCCCCCCCCOc1ccc(C=O)cc1.ClCCl.O=Cc1ccc(OCCO)cc1.O=Cc1ccc(OCCO)cc1.OCCOc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1.OCCOc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1.c1cc[nH]c1.
What is the InChIKey of bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole?
The InChIKey is GUWFUGQVXYXRFU-MVVHHDOVSA-N. The full InChI is InChI=1S/C60H62N4O7.2C17H18N2O2.C17H26O2.2C9H10O3.C4H5N.CH2Cl2.CH4/c1-2-3-4-5-6-7-8-9-37-68-45-18-10-41(11-19-45)57-49-26-28-51(61-49)58(42-12-20-46(21-13-42)69-38-34-65)53-30-32-55(63-53)60(44-16-24-48(25-17-44)71-40-36-67)56-33-31-54(64-56)59(52-29-27-50(57)62-52)43-14-22-47(23-15-43)70-39-35-66;2*20-11-12-21-14-7-5-13(6-8-14)17(15-3-1-9-18-15)16-4-2-10-19-16;1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17;2*10-5-6-12-9-3-1-8(7-11)2-4-9;1-2-4-5-3-1;2-1-3;/h10-33,61,64-67H,2-9,34-40H2,1H3;2*1-10,17-20H,11-12H2;10-13,15H,2-9,14H2,1H3;2*1-4,7,10H,5-6H2;1-5H;1H2;1H4/b57-49-,57-50-,58-51-,58-53-,59-52-,59-54-,60-55-,60-56-;;;;;;;;.
What are the key properties of bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole?
bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole has a molecular weight of 2278.67 g/mol, XLogP of 28.58, 54 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole is sourced from PubChem (CID 158373129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).