N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide

C72H88N8O4 — CID 101055313

IUPACN,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc(C2(C)c3ccc([nH]3)C(C)(c3ccc(CC(=O)N(CC)CC)cc3)c3ccc([nH]3)C(C)(c3ccc(CC(=O)N(CC)CC)cc3)c3ccc([nH]3)C(C)(c3ccc(CC(=O)N(CC)CC)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C72H88N8O4/c1-13-77(14-2)65(81)45-49-21-29-53(30-22-49)69(9)57-37-39-59(73-57)70(10,54-31-23-50(24-32-54)46-66(82)78(15-3)16-4)61-41-43-63(75-61)72(12,56-35-27-52(28-36-56)48-68(84)80(19-7)20-8)64-44-42-62(76-64)71(11,60-40-38-58(69)74-60)55-33-25-51(26-34-55)47-67(83)79(17-5)18-6/h21-44,73-76H,13-20,45-48H2,1-12H3
InChIKeyKGMLYJSRQVYJAA-UHFFFAOYSA-N
MW1129.55 g/mol
LogP12.37
Rot. Bonds20

About N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide

N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide (PubChem CID 101055313) has the molecular formula C72H88N8O4 and a molecular weight of 1129.55 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide
PubChem CID101055313
Molecular FormulaC72H88N8O4
Molecular Weight1129.55 g/mol
Exact Mass1128.69
IUPAC NameN,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc(C2(C)c3ccc([nH]3)C(C)(c3ccc(CC(=O)N(CC)CC)cc3)c3ccc([nH]3)C(C)(c3ccc(CC(=O)N(CC)CC)cc3)c3ccc([nH]3)C(C)(c3ccc(CC(=O)N(CC)CC)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C72H88N8O4/c1-13-77(14-2)65(81)45-49-21-29-53(30-22-49)69(9)57-37-39-59(73-57)70(10,54-31-23-50(24-32-54)46-66(82)78(15-3)16-4)61-41-43-63(75-61)72(12,56-35-27-52(28-36-56)48-68(84)80(19-7)20-8)64-44-42-62(76-64)71(11,60-40-38-58(69)74-60)55-33-25-51(26-34-55)47-67(83)79(17-5)18-6/h21-44,73-76H,13-20,45-48H2,1-12H3
InChIKeyKGMLYJSRQVYJAA-UHFFFAOYSA-N
XLogP12.37
TPSA144.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.55
LogP ≤ 512.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide (CID 101055313) is N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide is CCN(CC)C(=O)Cc1ccc(C2(C)c3ccc([nH]3)C(C)(c3ccc(CC(=O)N(CC)CC)cc3)c3ccc([nH]3)C(C)(c3ccc(CC(=O)N(CC)CC)cc3)c3ccc([nH]3)C(C)(c3ccc(CC(=O)N(CC)CC)cc3)c3ccc2[nH]3)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide?
The InChIKey is KGMLYJSRQVYJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H88N8O4/c1-13-77(14-2)65(81)45-49-21-29-53(30-22-49)69(9)57-37-39-59(73-57)70(10,54-31-23-50(24-32-54)46-66(82)78(15-3)16-4)61-41-43-63(75-61)72(12,56-35-27-52(28-36-56)48-68(84)80(19-7)20-8)64-44-42-62(76-64)71(11,60-40-38-58(69)74-60)55-33-25-51(26-34-55)47-67(83)79(17-5)18-6/h21-44,73-76H,13-20,45-48H2,1-12H3.
What are the key properties of N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide?
N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide has a molecular weight of 1129.55 g/mol, XLogP of 12.37, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]acetamide is sourced from PubChem (CID 101055313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).