N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide

C60H61N5O — CID 136900264

IUPACN-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C60H61N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-56(66)61-47-33-31-46(32-34-47)60-54-41-39-52(64-54)58(44-26-19-15-20-27-44)50-37-35-48(62-50)57(43-24-17-14-18-25-43)49-36-38-51(63-49)59(45-28-21-16-22-29-45)53-40-42-55(60)65-53/h14-22,24-29,31-42,62,65H,2-13,23,30H2,1H3,(H,61,66)/b57-48-,57-49-,58-50-,58-52-,59-51-,59-53-,60-54-,60-55-
InChIKeyZSKKSNPJEQEEFK-IISDOSNMSA-N
MW868.18 g/mol
LogP16.74
Rot. Bonds19

About N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide

N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide (PubChem CID 136900264) has the molecular formula C60H61N5O and a molecular weight of 868.18 g/mol. Its IUPAC name is N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide.

Molecular Properties

Compound NameN-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide
PubChem CID136900264
Molecular FormulaC60H61N5O
Molecular Weight868.18 g/mol
Exact Mass867.49
IUPAC NameN-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C60H61N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-56(66)61-47-33-31-46(32-34-47)60-54-41-39-52(64-54)58(44-26-19-15-20-27-44)50-37-35-48(62-50)57(43-24-17-14-18-25-43)49-36-38-51(63-49)59(45-28-21-16-22-29-45)53-40-42-55(60)65-53/h14-22,24-29,31-42,62,65H,2-13,23,30H2,1H3,(H,61,66)/b57-48-,57-49-,58-50-,58-52-,59-51-,59-53-,60-54-,60-55-
InChIKeyZSKKSNPJEQEEFK-IISDOSNMSA-N
XLogP16.74
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.18
LogP ≤ 516.74
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide?
The IUPAC name of N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide (CID 136900264) is N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide.
What is the SMILES notation for N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide?
The canonical SMILES for N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide?
The InChIKey is ZSKKSNPJEQEEFK-IISDOSNMSA-N. The full InChI is InChI=1S/C60H61N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-56(66)61-47-33-31-46(32-34-47)60-54-41-39-52(64-54)58(44-26-19-15-20-27-44)50-37-35-48(62-50)57(43-24-17-14-18-25-43)49-36-38-51(63-49)59(45-28-21-16-22-29-45)53-40-42-55(60)65-53/h14-22,24-29,31-42,62,65H,2-13,23,30H2,1H3,(H,61,66)/b57-48-,57-49-,58-50-,58-52-,59-51-,59-53-,60-54-,60-55-.
What are the key properties of N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide?
N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide has a molecular weight of 868.18 g/mol, XLogP of 16.74, 19 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-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]hexadecanamide is sourced from PubChem (CID 136900264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).