5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin

C46H68N4 — CID 91376378

IUPAC5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin
SMILESCCCCCCCCCCCCCC1=c2ccc([nH]2)=C(CCCCCCCCCCCCC)c2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2
InChIInChI=1S/C46H68N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-41-43-31-29-39(48-43)35-37-27-28-38(47-37)36-40-30-32-44(49-40)42(46-34-33-45(41)50-46)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-36,47-50H,3-26H2,1-2H3
InChIKeyIVNPLXVINJWTHJ-UHFFFAOYSA-N
MW677.08 g/mol
LogP10.77
Rot. Bonds24

About 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin

5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91376378) has the molecular formula C46H68N4 and a molecular weight of 677.08 g/mol. Its IUPAC name is 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91376378
Molecular FormulaC46H68N4
Molecular Weight677.08 g/mol
Exact Mass676.54
IUPAC Name5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin
SMILESCCCCCCCCCCCCCC1=c2ccc([nH]2)=C(CCCCCCCCCCCCC)c2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2
InChIInChI=1S/C46H68N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-41-43-31-29-39(48-43)35-37-27-28-38(47-37)36-40-30-32-44(49-40)42(46-34-33-45(41)50-46)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-36,47-50H,3-26H2,1-2H3
InChIKeyIVNPLXVINJWTHJ-UHFFFAOYSA-N
XLogP10.77
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.08
LogP ≤ 510.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin 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

3-[15-(3-hydroxyphenyl)-10,20-di(tridecyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
CID 91394215
5-(9,9-dihexadecylfluoren-2-yl)-15-(9-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynyl-9-methylfluoren-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 123274204
S-[4-[10,20-diheptyl-15-(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl] ethanethioate
CID 90800474
2,5-dioctyl-3-phenyl-1H-pyrrole
CID 174734668
3-fluoro-5-tetradecyl-1H-pyrrole-2-carboxylic acid
CID 142604481
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
octaoctacontylbenzene
CID 165359374
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014

Frequently Asked Questions

What is the IUPAC name of 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin (CID 91376378) is 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin is CCCCCCCCCCCCCC1=c2ccc([nH]2)=C(CCCCCCCCCCCCC)c2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2.
What is the InChIKey of 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is IVNPLXVINJWTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H68N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-41-43-31-29-39(48-43)35-37-27-28-38(47-37)36-40-30-32-44(49-40)42(46-34-33-45(41)50-46)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-36,47-50H,3-26H2,1-2H3.
What are the key properties of 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin?
5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 677.08 g/mol, XLogP of 10.77, 24 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91376378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).