copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid

C64H48CuN8O24 — CID 74892811

IUPACcopper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Oc1cccc(-c2c3nc(c(-c4cccc(OC(=O)N(CC(=O)O)CC(=O)O)c4)c4ccc([n-]4)c(-c4cccc(OC(=O)N(CC(=O)O)CC(=O)O)c4)c4nc(c(-c5cccc(OC(=O)N(CC(=O)O)CC(=O)O)c5)c5ccc2[n-]5)C=C4)C=C3)c1.[Cu+2]
InChIInChI=1S/C64H50N8O24.Cu/c73-49(74)25-69(26-50(75)76)61(89)93-37-9-1-5-33(21-37)57-41-13-15-43(65-41)58(34-6-2-10-38(22-34)94-62(90)70(27-51(77)78)28-52(79)80)45-17-19-47(67-45)60(36-8-4-12-40(24-36)96-64(92)72(31-55(85)86)32-56(87)88)48-20-18-46(68-48)59(44-16-14-42(57)66-44)35-7-3-11-39(23-35)95-63(91)71(29-53(81)82)30-54(83)84;/h1-24H,25-32H2,(H10,65,66,67,68,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88);/q;+2/p-2/b57-41-,57-42-,58-43-,58-45-,59-44-,59-46-,60-47-,60-48-;
InChIKeyGHYIVBYZYJGSGZ-GQKYSXQISA-L
MW1376.67 g/mol
LogP6.46
Rot. Bonds24

About copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid

copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid (PubChem CID 74892811) has the molecular formula C64H48CuN8O24 and a molecular weight of 1376.67 g/mol. Its IUPAC name is copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid.

Molecular Properties

Compound Namecopper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid
PubChem CID74892811
Molecular FormulaC64H48CuN8O24
Molecular Weight1376.67 g/mol
Exact Mass1375.21
IUPAC Namecopper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Oc1cccc(-c2c3nc(c(-c4cccc(OC(=O)N(CC(=O)O)CC(=O)O)c4)c4ccc([n-]4)c(-c4cccc(OC(=O)N(CC(=O)O)CC(=O)O)c4)c4nc(c(-c5cccc(OC(=O)N(CC(=O)O)CC(=O)O)c5)c5ccc2[n-]5)C=C4)C=C3)c1.[Cu+2]
InChIInChI=1S/C64H50N8O24.Cu/c73-49(74)25-69(26-50(75)76)61(89)93-37-9-1-5-33(21-37)57-41-13-15-43(65-41)58(34-6-2-10-38(22-34)94-62(90)70(27-51(77)78)28-52(79)80)45-17-19-47(67-45)60(36-8-4-12-40(24-36)96-64(92)72(31-55(85)86)32-56(87)88)48-20-18-46(68-48)59(44-16-14-42(57)66-44)35-7-3-11-39(23-35)95-63(91)71(29-53(81)82)30-54(83)84;/h1-24H,25-32H2,(H10,65,66,67,68,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88);/q;+2/p-2/b57-41-,57-42-,58-43-,58-45-,59-44-,59-46-,60-47-,60-48-;
InChIKeyGHYIVBYZYJGSGZ-GQKYSXQISA-L
XLogP6.46
TPSA470.54 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001376.67
LogP ≤ 56.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid 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

dicopper;6,11,16,25,30,35-hexakis-phenyl-40,41,44,45-tetraza-39,42,43,46-tetrazanidanonacyclo[34.2.1.12,5.17,10.112,15.117,20.121,24.126,29.131,34]hexatetraconta-1,3,5,7(45),8,10,12(44),13,15,17,19,21,23,25,27,29(41),30,32,34(40),35,37-henicosaene
CID 140772135
ethanol;bis(ruthenium(2+));bis(5,10,15,20-tetraphenylporphyrin-22,24-diide);hydrate
CID 11982081
nickel(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 3732295
copper(1+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 5260273
palladium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 58273727
dizinc;5-butyl-15-[15-butyl-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 71746166
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
(Z)-4-hydroxypent-3-en-2-one;lanthanum;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 139247176
copper 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 4040225
chlororuthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 169046484
zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 56654860
copper methyl 2,6,11,16-tetraphenyl-4,21-diaza-20,22-diazanidapentacyclo[15.2.1.13,5.17,10.112,15]tricosa-1,3,5,7,9,11,13,15(21),16,18-decaene-23-carboxylate
CID 11992043

Frequently Asked Questions

What is the IUPAC name of copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid?
The IUPAC name of copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid (CID 74892811) is copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid.
What is the SMILES notation for copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid?
The canonical SMILES for copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)Oc1cccc(-c2c3nc(c(-c4cccc(OC(=O)N(CC(=O)O)CC(=O)O)c4)c4ccc([n-]4)c(-c4cccc(OC(=O)N(CC(=O)O)CC(=O)O)c4)c4nc(c(-c5cccc(OC(=O)N(CC(=O)O)CC(=O)O)c5)c5ccc2[n-]5)C=C4)C=C3)c1.[Cu+2].
What is the InChIKey of copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid?
The InChIKey is GHYIVBYZYJGSGZ-GQKYSXQISA-L. The full InChI is InChI=1S/C64H50N8O24.Cu/c73-49(74)25-69(26-50(75)76)61(89)93-37-9-1-5-33(21-37)57-41-13-15-43(65-41)58(34-6-2-10-38(22-34)94-62(90)70(27-51(77)78)28-52(79)80)45-17-19-47(67-45)60(36-8-4-12-40(24-36)96-64(92)72(31-55(85)86)32-56(87)88)48-20-18-46(68-48)59(44-16-14-42(57)66-44)35-7-3-11-39(23-35)95-63(91)71(29-53(81)82)30-54(83)84;/h1-24H,25-32H2,(H10,65,66,67,68,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88);/q;+2/p-2/b57-41-,57-42-,58-43-,58-45-,59-44-,59-46-,60-47-,60-48-;.
What are the key properties of copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid?
copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid has a molecular weight of 1376.67 g/mol, XLogP of 6.46, 24 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2-[carboxymethyl-[3-[10,15,20-tris[3-[bis(carboxymethyl)carbamoyloxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]carbonylamino]acetic acid is sourced from PubChem (CID 74892811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).