N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide

C59H59N5O — CID 135978112

IUPACN-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C59H59N5O/c1-5-6-7-8-9-10-11-12-13-14-55(65)60-46-29-27-45(28-30-46)59-53-37-35-51(63-53)57(43-23-17-40(3)18-24-43)49-33-31-47(61-49)56(42-21-15-39(2)16-22-42)48-32-34-50(62-48)58(52-36-38-54(59)64-52)44-25-19-41(4)20-26-44/h15-38,61,64H,5-14H2,1-4H3,(H,60,65)/b56-47-,56-48-,57-49-,57-51-,58-50-,58-52-,59-53-,59-54-
InChIKeyYKXVLHRTMPQVNX-BCBWSPHTSA-N
MW854.16 g/mol
LogP16.11
Rot. Bonds15

About N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide

N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide (PubChem CID 135978112) has the molecular formula C59H59N5O and a molecular weight of 854.16 g/mol. Its IUPAC name is N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide.

Molecular Properties

Compound NameN-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide
PubChem CID135978112
Molecular FormulaC59H59N5O
Molecular Weight854.16 g/mol
Exact Mass853.47
IUPAC NameN-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C59H59N5O/c1-5-6-7-8-9-10-11-12-13-14-55(65)60-46-29-27-45(28-30-46)59-53-37-35-51(63-53)57(43-23-17-40(3)18-24-43)49-33-31-47(61-49)56(42-21-15-39(2)16-22-42)48-32-34-50(62-48)58(52-36-38-54(59)64-52)44-25-19-41(4)20-26-44/h15-38,61,64H,5-14H2,1-4H3,(H,60,65)/b56-47-,56-48-,57-49-,57-51-,58-50-,58-52-,59-53-,59-54-
InChIKeyYKXVLHRTMPQVNX-BCBWSPHTSA-N
XLogP16.11
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.16
LogP ≤ 516.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[10,15,20-tris[4-(octanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]octanamide
CID 136810655
N-[4-[10,15,20-tris[4-(hexadecanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]hexadecanamide
CID 136826487
8-amino-N-[4-[10,15,20-tris[4-(8-aminooctanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]octanamide
CID 135542396
4-oxo-4-[4-[10,15,20-tris[4-(3-carboxypropanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]anilino]butanoic acid
CID 102386285
7-sulfanyl-N-[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]heptanamide
CID 136693201
4-chloro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]butanamide
CID 10887120
5-pyrazin-2-yl-N-[4-[10,15,20-tris[4-(5-pyrazin-2-ylpentanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]pentanamide
CID 101073407
N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide
CID 11467287
4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide
CID 102152812
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852

Frequently Asked Questions

What is the IUPAC name of N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide?
The IUPAC name of N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide (CID 135978112) is N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide.
What is the SMILES notation for N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide?
The canonical SMILES for N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide is CCCCCCCCCCCC(=O)Nc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide?
The InChIKey is YKXVLHRTMPQVNX-BCBWSPHTSA-N. The full InChI is InChI=1S/C59H59N5O/c1-5-6-7-8-9-10-11-12-13-14-55(65)60-46-29-27-45(28-30-46)59-53-37-35-51(63-53)57(43-23-17-40(3)18-24-43)49-33-31-47(61-49)56(42-21-15-39(2)16-22-42)48-32-34-50(62-48)58(52-36-38-54(59)64-52)44-25-19-41(4)20-26-44/h15-38,61,64H,5-14H2,1-4H3,(H,60,65)/b56-47-,56-48-,57-49-,57-51-,58-50-,58-52-,59-53-,59-54-.
What are the key properties of N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide?
N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide has a molecular weight of 854.16 g/mol, XLogP of 16.11, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide is sourced from PubChem (CID 135978112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).