N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide

C64H66N8O8 — CID 137130440

IUPACN-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide
SMILESCOc1cc(N(C)C(C)=O)cc(C)c1-c1c2nc(c(-c3c(OC)cc(N(C)C(C)=O)cc3OC)c3ccc([nH]3)c(-c3c(C)cc(N(C)C(C)=O)cc3OC)c3nc(c(-c4c(C)cc(N(C)C(C)=O)cc4C)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C64H66N8O8/c1-33-25-41(69(9)37(5)73)26-34(2)57(33)60-45-17-19-47(65-45)61(58-35(3)27-42(29-53(58)77-13)70(10)38(6)74)49-21-23-51(67-49)63(64-55(79-15)31-44(32-56(64)80-16)72(12)40(8)76)52-24-22-50(68-52)62(48-20-18-46(60)66-48)59-36(4)28-43(30-54(59)78-14)71(11)39(7)75/h17-32,65,68H,1-16H3/b60-45+,60-46+,61-47+,61-49+,62-48+,62-50+,63-51+,63-52+
InChIKeyRQEWRAWHXSGLLL-OVIRJTOWSA-N
MW1075.28 g/mol
LogP12.52
Rot. Bonds12

About N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide

N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide (PubChem CID 137130440) has the molecular formula C64H66N8O8 and a molecular weight of 1075.28 g/mol. Its IUPAC name is N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide
PubChem CID137130440
Molecular FormulaC64H66N8O8
Molecular Weight1075.28 g/mol
Exact Mass1074.50
IUPAC NameN-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide
SMILESCOc1cc(N(C)C(C)=O)cc(C)c1-c1c2nc(c(-c3c(OC)cc(N(C)C(C)=O)cc3OC)c3ccc([nH]3)c(-c3c(C)cc(N(C)C(C)=O)cc3OC)c3nc(c(-c4c(C)cc(N(C)C(C)=O)cc4C)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C64H66N8O8/c1-33-25-41(69(9)37(5)73)26-34(2)57(33)60-45-17-19-47(65-45)61(58-35(3)27-42(29-53(58)77-13)70(10)38(6)74)49-21-23-51(67-49)63(64-55(79-15)31-44(32-56(64)80-16)72(12)40(8)76)52-24-22-50(68-52)62(48-20-18-46(60)66-48)59-36(4)28-43(30-54(59)78-14)71(11)39(7)75/h17-32,65,68H,1-16H3/b60-45+,60-46+,61-47+,61-49+,62-48+,62-50+,63-51+,63-52+
InChIKeyRQEWRAWHXSGLLL-OVIRJTOWSA-N
XLogP12.52
TPSA175.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.28
LogP ≤ 512.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide with MolForge

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Related Compounds

N-[3,5-dimethoxy-4-[10,15,20-tris[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-N-methylacetamide
CID 137120097
N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline
CID 137081692
5,10,15-tris(2,6-difluorophenyl)-20-(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin
CID 136880995
iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
CID 175061750
2-trimethylsilylethyl 10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-carboxylate
CID 136799178
5-bromo-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135545252
3,5-dimethyl-4-[10,15,20-tris(4-cyano-2,6-dimethylphenyl)-21,24-dihydroporphyrin-5-yl]benzonitrile
CID 10771772
10,15,20-tris(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 11585878
iron;4-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175729519
3-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]prop-2-ynimidamide
CID 136675189
19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene
CID 137125356
4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]-N,N-bis[4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]aniline
CID 102500799

Frequently Asked Questions

What is the IUPAC name of N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide?
The IUPAC name of N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide (CID 137130440) is N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide is COc1cc(N(C)C(C)=O)cc(C)c1-c1c2nc(c(-c3c(OC)cc(N(C)C(C)=O)cc3OC)c3ccc([nH]3)c(-c3c(C)cc(N(C)C(C)=O)cc3OC)c3nc(c(-c4c(C)cc(N(C)C(C)=O)cc4C)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide?
The InChIKey is RQEWRAWHXSGLLL-OVIRJTOWSA-N. The full InChI is InChI=1S/C64H66N8O8/c1-33-25-41(69(9)37(5)73)26-34(2)57(33)60-45-17-19-47(65-45)61(58-35(3)27-42(29-53(58)77-13)70(10)38(6)74)49-21-23-51(67-49)63(64-55(79-15)31-44(32-56(64)80-16)72(12)40(8)76)52-24-22-50(68-52)62(48-20-18-46(60)66-48)59-36(4)28-43(30-54(59)78-14)71(11)39(7)75/h17-32,65,68H,1-16H3/b60-45+,60-46+,61-47+,61-49+,62-48+,62-50+,63-51+,63-52+.
What are the key properties of N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide?
N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide has a molecular weight of 1075.28 g/mol, XLogP of 12.52, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide is sourced from PubChem (CID 137130440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).