N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide

C60H61N5O — CID 162675809

IUPACN-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C60H61N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-35-55(66)64-54-42-53-58(45-31-22-16-23-32-45)51-39-38-49(62-51)56(43-27-18-14-19-28-43)47-36-37-48(61-47)57(44-29-20-15-21-30-44)50-40-41-52(63-50)59(60(54)65-53)46-33-24-17-25-34-46/h14-25,27-34,36-42,62-63H,2-13,26,35H2,1H3,(H,64,66)/b56-47-,56-49-,57-48-,57-50-,58-51-,58-53-,59-52-,60-59-
InChIKeyLUUOWCRCWDDUQR-RIBFXXNMSA-N
MW868.18 g/mol
LogP16.25
Rot. Bonds19

About N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide

N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide (PubChem CID 162675809) has the molecular formula C60H61N5O and a molecular weight of 868.18 g/mol. Its IUPAC name is N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide.

Molecular Properties

Compound NameN-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide
PubChem CID162675809
Molecular FormulaC60H61N5O
Molecular Weight868.18 g/mol
Exact Mass867.49
IUPAC NameN-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C60H61N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-35-55(66)64-54-42-53-58(45-31-22-16-23-32-45)51-39-38-49(62-51)56(43-27-18-14-19-28-43)47-36-37-48(61-47)57(44-29-20-15-21-30-44)50-40-41-52(63-50)59(60(54)65-53)46-33-24-17-25-34-46/h14-25,27-34,36-42,62-63H,2-13,26,35H2,1H3,(H,64,66)/b56-47-,56-49-,57-48-,57-50-,58-51-,58-53-,59-52-,60-59-
InChIKeyLUUOWCRCWDDUQR-RIBFXXNMSA-N
XLogP16.25
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 ≤ 516.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide?
The IUPAC name of N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide (CID 162675809) is N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide.
What is the SMILES notation for N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide?
The canonical SMILES for N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.
What is the InChIKey of N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide?
The InChIKey is LUUOWCRCWDDUQR-RIBFXXNMSA-N. The full InChI is InChI=1S/C60H61N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-35-55(66)64-54-42-53-58(45-31-22-16-23-32-45)51-39-38-49(62-51)56(43-27-18-14-19-28-43)47-36-37-48(61-47)57(44-29-20-15-21-30-44)50-40-41-52(63-50)59(60(54)65-53)46-33-24-17-25-34-46/h14-25,27-34,36-42,62-63H,2-13,26,35H2,1H3,(H,64,66)/b56-47-,56-49-,57-48-,57-50-,58-51-,58-53-,59-52-,60-59-.
What are the key properties of N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide?
N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide has a molecular weight of 868.18 g/mol, XLogP of 16.25, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)hexadecanamide is sourced from PubChem (CID 162675809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).