copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide

C30H32CuN4 — CID 10625564

IUPACcopper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide
SMILESCCC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5C)C(C)=C4C)c(C)c3C.[Cu+2]
InChIInChI=1S/C30H32N4.Cu/c1-9-21-19(7)27-12-25-17(5)15(3)23(31-25)11-24-16(4)18(6)26(32-24)13-28-20(8)22(10-2)30(34-28)14-29(21)33-27;/h11-14H,9-10H2,1-8H3;/q-2;+2/b23-11-,24-11-,25-12-,26-13-,27-12-,28-13-,29-14-,30-14-;
InChIKeyBXPFWHBBAVWPQZ-YDTHOXGASA-N
MW512.16 g/mol
LogP7.35
Rot. Bonds2

About copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide

copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide (PubChem CID 10625564) has the molecular formula C30H32CuN4 and a molecular weight of 512.16 g/mol. Its IUPAC name is copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide.

Molecular Properties

Compound Namecopper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide
PubChem CID10625564
Molecular FormulaC30H32CuN4
Molecular Weight512.16 g/mol
Exact Mass511.19
IUPAC Namecopper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide
SMILESCCC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5C)C(C)=C4C)c(C)c3C.[Cu+2]
InChIInChI=1S/C30H32N4.Cu/c1-9-21-19(7)27-12-25-17(5)15(3)23(31-25)11-24-16(4)18(6)26(32-24)13-28-20(8)22(10-2)30(34-28)14-29(21)33-27;/h11-14H,9-10H2,1-8H3;/q-2;+2/b23-11-,24-11-,25-12-,26-13-,27-12-,28-13-,29-14-,30-14-;
InChIKeyBXPFWHBBAVWPQZ-YDTHOXGASA-N
XLogP7.35
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.16
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper 2,8,13-triethyl-3,7,12,17-tetramethylporphyrin-22,24-diide
CID 134915764
dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide
CID 10855214
nickel(2+);4,10,14-triethyl-5,9,15-trimethyl-34,36-diaza-33,35-diazanidaoctacyclo[16.14.1.13,6.18,11.113,16.019,32.020,25.026,31]hexatriaconta-1(32),2,4,6(36),7,9,11,13(34),14,16,18,20,22,24,26,28,30-heptadecaene
CID 10817925
zinc 2,7-diethyl-3,8,12,18-tetramethyl-13,17-bis(3-methylbut-3-enyl)porphyrin-22,24-diide
CID 11039412
3-[18-(3-acetyloxypropyl)-7,12-diethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propyl acetate;cobalt(2+)
CID 59921652
2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+)
CID 172547960
zinc 2-anthracen-9-yl-7,12,17-triethyl-3,8,13,18-tetramethylporphyrin-21,23-diide
CID 57375379
2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
CID 636283
zinc 3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,15,17-pentamethylporphyrin-22,24-diid-2-yl]propanoic acid
CID 59972114
carbanide;3-[7,12-diethyl-18-(2-formyloxyethyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;2-(8,13-diethyl-3,7,12,17-tetramethyl-18-propylporphyrin-22,24-diid-2-yl)ethyl formate;bis(iridium(3+))
CID 162169886
copper methyl 3-[7,12-diethyl-15-(hydroxymethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate
CID 10259067
iron(2+);3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid
CID 4631008

Frequently Asked Questions

What is the IUPAC name of copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide?
The IUPAC name of copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide (CID 10625564) is copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide.
What is the SMILES notation for copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide?
The canonical SMILES for copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide is CCC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5C)C(C)=C4C)c(C)c3C.[Cu+2].
What is the InChIKey of copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide?
The InChIKey is BXPFWHBBAVWPQZ-YDTHOXGASA-N. The full InChI is InChI=1S/C30H32N4.Cu/c1-9-21-19(7)27-12-25-17(5)15(3)23(31-25)11-24-16(4)18(6)26(32-24)13-28-20(8)22(10-2)30(34-28)14-29(21)33-27;/h11-14H,9-10H2,1-8H3;/q-2;+2/b23-11-,24-11-,25-12-,26-13-,27-12-,28-13-,29-14-,30-14-;.
What are the key properties of copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide?
copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide has a molecular weight of 512.16 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide is sourced from PubChem (CID 10625564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).