5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin

C74H98N4O3 — CID 136682901

IUPAC5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin
SMILESCCCCCCCCCCCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCCCCCCCCCCC)c3ccc([nH]3)c(-c3ccccc3OCCCCCCCCCCCC)c3nc(cc4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C74H98N4O3/c1-4-7-10-13-16-19-22-25-28-37-54-79-69-43-34-31-40-60(69)72-63-48-46-58(75-63)57-59-47-49-64(76-59)73(61-41-32-35-44-70(61)80-55-38-29-26-23-20-17-14-11-8-5-2)66-51-53-68(78-66)74(67-52-50-65(72)77-67)62-42-33-36-45-71(62)81-56-39-30-27-24-21-18-15-12-9-6-3/h31-36,40-53,57,75,78H,4-30,37-39,54-56H2,1-3H3/b58-57-,59-57-,72-63-,72-65-,73-64-,73-66-,74-67-,74-68-
InChIKeyYYDWIXZBPHEXEN-FOMDZGNFSA-N
MW1091.62 g/mol
LogP22.56
Rot. Bonds39

About 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin

5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 136682901) has the molecular formula C74H98N4O3 and a molecular weight of 1091.62 g/mol. Its IUPAC name is 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin
PubChem CID136682901
Molecular FormulaC74H98N4O3
Molecular Weight1091.62 g/mol
Exact Mass1090.76
IUPAC Name5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin
SMILESCCCCCCCCCCCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCCCCCCCCCCC)c3ccc([nH]3)c(-c3ccccc3OCCCCCCCCCCCC)c3nc(cc4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C74H98N4O3/c1-4-7-10-13-16-19-22-25-28-37-54-79-69-43-34-31-40-60(69)72-63-48-46-58(75-63)57-59-47-49-64(76-59)73(61-41-32-35-44-70(61)80-55-38-29-26-23-20-17-14-11-8-5-2)66-51-53-68(78-66)74(67-52-50-65(72)77-67)62-42-33-36-45-71(62)81-56-39-30-27-24-21-18-15-12-9-6-3/h31-36,40-53,57,75,78H,4-30,37-39,54-56H2,1-3H3/b58-57-,59-57-,72-63-,72-65-,73-64-,73-66-,74-67-,74-68-
InChIKeyYYDWIXZBPHEXEN-FOMDZGNFSA-N
XLogP22.56
TPSA85.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds39
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.62
LogP ≤ 522.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin 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

5,15-bis(3,4-dihexadecoxyphenyl)-21,23-dihydroporphyrin
CID 136740509
5-(4-dodecoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 141095014
2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane
CID 118650393
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
CID 136760152
ethyl 3-[10,20-bis(2-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 137274662
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
5,10,15,20-tetrakis(3,4,5-trioctadecoxyphenyl)-21,23-dihydroporphyrin
CID 139249949
tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane
CID 135873665
5,15-bis(3,5-dioctoxyphenyl)-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21,23-dihydroporphyrin
CID 135399947
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
4-[10,15-bis[4-carboxy-2,6-bis(10-carboxydecoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecoxy)benzoic acid
CID 101141023
5,15-bis[2-[10,20-bis[2,6-bis(3,3-dimethylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]ethynyl]-10,20-bis[2,6-bis(3,3-dimethylbutoxy)phenyl]-21,23-dihydroporphyrin
CID 102010506

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin (CID 136682901) is 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin is CCCCCCCCCCCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCCCCCCCCCCC)c3ccc([nH]3)c(-c3ccccc3OCCCCCCCCCCCC)c3nc(cc4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is YYDWIXZBPHEXEN-FOMDZGNFSA-N. The full InChI is InChI=1S/C74H98N4O3/c1-4-7-10-13-16-19-22-25-28-37-54-79-69-43-34-31-40-60(69)72-63-48-46-58(75-63)57-59-47-49-64(76-59)73(61-41-32-35-44-70(61)80-55-38-29-26-23-20-17-14-11-8-5-2)66-51-53-68(78-66)74(67-52-50-65(72)77-67)62-42-33-36-45-71(62)81-56-39-30-27-24-21-18-15-12-9-6-3/h31-36,40-53,57,75,78H,4-30,37-39,54-56H2,1-3H3/b58-57-,59-57-,72-63-,72-65-,73-64-,73-66-,74-67-,74-68-.
What are the key properties of 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin?
5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin has a molecular weight of 1091.62 g/mol, XLogP of 22.56, 39 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 136682901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).