5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol

C107H87BBr5Cl2N9O8 — CID 161044702

IUPAC5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
SMILESBrB(Br)Br.BrCCBr.COc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3C)c3nc(c(-c4ccccc4C)c4ccc1[nH]4)C=C3)C=C2.COc1ccccc1C=O.ClCCl.Oc1ccccc1-c1c2nc(c(-c3ccccc3O)c3ccc([nH]3)c(-c3ccccc3O)c3nc(c(-c4ccccc4O)c4ccc1[nH]4)C=C3)C=C2.c1cc[nH]c1
InChIInChI=1S/C48H38N4O2.C44H30N4O4.C8H8O2.C4H5N.C2H4Br2.CH2Cl2.BBr3/c1-29-13-5-7-15-31(29)45-35-21-22-36(49-35)46(32-16-8-6-14-30(32)2)38-24-26-40(51-38)48(34-18-10-12-20-44(34)54-4)42-28-27-41(52-42)47(39-25-23-37(45)50-39)33-17-9-11-19-43(33)53-3;49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51;1-10-8-5-3-2-4-7(8)6-9;1-2-4-5-3-1;3-1-2-4;2-1-3;2-1(3)4/h5-28,50-51H,1-4H3;1-24,45,48-52H;2-6H,1H3;1-5H;1-2H2;1H2;/b45-35-,45-37-,46-36-,46-38-,47-39-,47-41-,48-40-,48-42-;41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-;;;;;
InChIKeyUBIPTLKIWZQIFK-OKVLUMEESA-N
MW2108.17 g/mol
LogP29.98
Rot. Bonds13

About 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol

5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol (PubChem CID 161044702) has the molecular formula C107H87BBr5Cl2N9O8 and a molecular weight of 2108.17 g/mol. Its IUPAC name is 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol.

Molecular Properties

Compound Name5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
PubChem CID161044702
Molecular FormulaC107H87BBr5Cl2N9O8
Molecular Weight2108.17 g/mol
Exact Mass2101.21
IUPAC Name5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
SMILESBrB(Br)Br.BrCCBr.COc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3C)c3nc(c(-c4ccccc4C)c4ccc1[nH]4)C=C3)C=C2.COc1ccccc1C=O.ClCCl.Oc1ccccc1-c1c2nc(c(-c3ccccc3O)c3ccc([nH]3)c(-c3ccccc3O)c3nc(c(-c4ccccc4O)c4ccc1[nH]4)C=C3)C=C2.c1cc[nH]c1
InChIInChI=1S/C48H38N4O2.C44H30N4O4.C8H8O2.C4H5N.C2H4Br2.CH2Cl2.BBr3/c1-29-13-5-7-15-31(29)45-35-21-22-36(49-35)46(32-16-8-6-14-30(32)2)38-24-26-40(51-38)48(34-18-10-12-20-44(34)54-4)42-28-27-41(52-42)47(39-25-23-37(45)50-39)33-17-9-11-19-43(33)53-3;49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51;1-10-8-5-3-2-4-7(8)6-9;1-2-4-5-3-1;3-1-2-4;2-1-3;2-1(3)4/h5-28,50-51H,1-4H3;1-24,45,48-52H;2-6H,1H3;1-5H;1-2H2;1H2;/b45-35-,45-37-,46-36-,46-38-,47-39-,47-41-,48-40-,48-42-;41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-;;;;;
InChIKeyUBIPTLKIWZQIFK-OKVLUMEESA-N
XLogP29.98
TPSA256.19 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002108.17
LogP ≤ 529.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol with MolForge

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Related Compounds

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;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;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
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
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
chloroform;4-hydroxybenzaldehyde;1H-pyrrole;4-[10,15,20-tris(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 159524176
5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;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 159605158
zinc;5,15-bis(2-methyl-6-octoxyphenyl)-21,23-dihydroporphyrin;10-bromo-5,15-bis(2-methyl-6-octoxyphenyl)porphyrin-22,24-diide;2-methyl-6-octoxybenzaldehyde;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
CID 159688115
zinc;benzene-1,3-diol;5,15-bis(2-methyl-6-pentoxyphenyl)-21,23-dihydroporphyrin;10-bromo-5,15-bis(2-methyl-6-pentoxyphenyl)porphyrin-22,24-diide;2,6-dipentoxybenzaldehyde;1,3-dipentoxybenzene;methane;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
CID 160418981
5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;carbanide;cobalt(3+);1,2-dibromoethane;dichloromethane;N,N-dimethylmethanamine;ethane;methane;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 160427356
dipotassium;3-bromopropan-1-ol;hydride;3-hydroxybenzaldehyde;bis(3-(3-hydroxypropoxy)benzaldehyde);3-[3-[15-[3-(3-hydroxypropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propan-1-ol;oxido formate;1H-pyrrole;bis(2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole)
CID 161133657
bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);cyclopenta-1,3-diene;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)
CID 162033616

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The IUPAC name of 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol (CID 161044702) is 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol.
What is the SMILES notation for 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The canonical SMILES for 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol is BrB(Br)Br.BrCCBr.COc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3C)c3nc(c(-c4ccccc4C)c4ccc1[nH]4)C=C3)C=C2.COc1ccccc1C=O.ClCCl.Oc1ccccc1-c1c2nc(c(-c3ccccc3O)c3ccc([nH]3)c(-c3ccccc3O)c3nc(c(-c4ccccc4O)c4ccc1[nH]4)C=C3)C=C2.c1cc[nH]c1.
What is the InChIKey of 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The InChIKey is UBIPTLKIWZQIFK-OKVLUMEESA-N. The full InChI is InChI=1S/C48H38N4O2.C44H30N4O4.C8H8O2.C4H5N.C2H4Br2.CH2Cl2.BBr3/c1-29-13-5-7-15-31(29)45-35-21-22-36(49-35)46(32-16-8-6-14-30(32)2)38-24-26-40(51-38)48(34-18-10-12-20-44(34)54-4)42-28-27-41(52-42)47(39-25-23-37(45)50-39)33-17-9-11-19-43(33)53-3;49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51;1-10-8-5-3-2-4-7(8)6-9;1-2-4-5-3-1;3-1-2-4;2-1-3;2-1(3)4/h5-28,50-51H,1-4H3;1-24,45,48-52H;2-6H,1H3;1-5H;1-2H2;1H2;/b45-35-,45-37-,46-36-,46-38-,47-39-,47-41-,48-40-,48-42-;41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-;;;;;.
What are the key properties of 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol has a molecular weight of 2108.17 g/mol, XLogP of 29.98, 13 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(2-methoxyphenyl)-15,20-bis(2-methylphenyl)-21,23-dihydroporphyrin;1,2-dibromoethane;dichloromethane;2-methoxybenzaldehyde;1H-pyrrole;tribromoborane;2-[10,15,20-tris(2-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol is sourced from PubChem (CID 161044702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).