copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate

C60H46CuN4O8 — CID 175936058

IUPACcopper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2c3nc(c(-c4ccc(OC(=O)C(=C)C)cc4)c4ccc([nH]4)c(-c4ccc(OC(=O)C(=C)C)cc4)c4nc(c(-c5ccc(OC(=O)C(=C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cu]
InChIInChI=1S/C60H46N4O8.Cu/c1-33(2)57(65)69-41-17-9-37(10-18-41)53-45-25-27-47(61-45)54(38-11-19-42(20-12-38)70-58(66)34(3)4)49-29-31-51(63-49)56(40-15-23-44(24-16-40)72-60(68)36(7)8)52-32-30-50(64-52)55(48-28-26-46(53)62-48)39-13-21-43(22-14-39)71-59(67)35(5)6;/h9-32,61,64H,1,3,5,7H2,2,4,6,8H3;/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-;
InChIKeyAVAJIBSKDWFNJR-YUTFXDKVSA-N
MW1014.59 g/mol
LogP13.25
Rot. Bonds12

About copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate

copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate (PubChem CID 175936058) has the molecular formula C60H46CuN4O8 and a molecular weight of 1014.59 g/mol. Its IUPAC name is copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Namecopper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate
PubChem CID175936058
Molecular FormulaC60H46CuN4O8
Molecular Weight1014.59 g/mol
Exact Mass1013.26
IUPAC Namecopper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2c3nc(c(-c4ccc(OC(=O)C(=C)C)cc4)c4ccc([nH]4)c(-c4ccc(OC(=O)C(=C)C)cc4)c4nc(c(-c5ccc(OC(=O)C(=C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cu]
InChIInChI=1S/C60H46N4O8.Cu/c1-33(2)57(65)69-41-17-9-37(10-18-41)53-45-25-27-47(61-45)54(38-11-19-42(20-12-38)70-58(66)34(3)4)49-29-31-51(63-49)56(40-15-23-44(24-16-40)72-60(68)36(7)8)52-32-30-50(64-52)55(48-28-26-46(53)62-48)39-13-21-43(22-14-39)71-59(67)35(5)6;/h9-32,61,64H,1,3,5,7H2,2,4,6,8H3;/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-;
InChIKeyAVAJIBSKDWFNJR-YUTFXDKVSA-N
XLogP13.25
TPSA162.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.59
LogP ≤ 513.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[10,15-bis[4-(2-methylprop-2-enoyloxy)phenyl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate
CID 136908134
[4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl] prop-2-enoate
CID 136803781
iron;4-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175729519
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
4-[20-(4-methoxyphenyl)-10,15-bis(4-sulfonatophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate
CID 136803851
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
copper;4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 170158211
4-[15-(4-acetylphenyl)-10,20-bis(4-formylphenyl)-21,23-dihydroporphyrin-5-yl]benzaldehyde
CID 146390062
5,15-bis(4-methoxyphenyl)-10,20-bis(4-nitrophenyl)-21,23-dihydroporphyrin
CID 135496782
S-[4-[15-(4-acetylsulfanylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]phenyl] ethanethioate
CID 136717588
4-[10,15,20-tris(4-octadecoxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 136916252
4-[10,20-bis(4-tert-butylphenyl)-15-(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 137211640

Frequently Asked Questions

What is the IUPAC name of copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate (CID 175936058) is copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2c3nc(c(-c4ccc(OC(=O)C(=C)C)cc4)c4ccc([nH]4)c(-c4ccc(OC(=O)C(=C)C)cc4)c4nc(c(-c5ccc(OC(=O)C(=C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cu].
What is the InChIKey of copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate?
The InChIKey is AVAJIBSKDWFNJR-YUTFXDKVSA-N. The full InChI is InChI=1S/C60H46N4O8.Cu/c1-33(2)57(65)69-41-17-9-37(10-18-41)53-45-25-27-47(61-45)54(38-11-19-42(20-12-38)70-58(66)34(3)4)49-29-31-51(63-49)56(40-15-23-44(24-16-40)72-60(68)36(7)8)52-32-30-50(64-52)55(48-28-26-46(53)62-48)39-13-21-43(22-14-39)71-59(67)35(5)6;/h9-32,61,64H,1,3,5,7H2,2,4,6,8H3;/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-;.
What are the key properties of copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate?
copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate has a molecular weight of 1014.59 g/mol, XLogP of 13.25, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;[4-[10,15,20-tris[4-(2-methylprop-2-enoyloxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 175936058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).