5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin

C92H128N4O4 — CID 91023938

IUPAC5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCCCCCCCCCCCCOc1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2OCCCCCCCCCCCC)c2ccc([nH]2)C(c2ccccc2OCCCCCCCCCCCC)=c2ccc([nH]2)=C(c2ccccc2OCCCCCCCCCCCC)c2ccc1[nH]2
InChIInChI=1S/C92H128N4O4/c1-5-9-13-17-21-25-29-33-37-49-69-97-85-57-45-41-53-73(85)89-77-61-63-79(93-77)90(74-54-42-46-58-86(74)98-70-50-38-34-30-26-22-18-14-10-6-2)81-65-67-83(95-81)92(76-56-44-48-60-88(76)100-72-52-40-36-32-28-24-20-16-12-8-4)84-68-66-82(96-84)91(80-64-62-78(89)94-80)75-55-43-47-59-87(75)99-71-51-39-35-31-27-23-19-15-11-7-3/h41-48,53-68,93-96H,5-40,49-52,69-72H2,1-4H3
InChIKeyJPIVJFRSPYYRIG-UHFFFAOYSA-N
MW1354.06 g/mol
LogP23.50
Rot. Bonds52

About 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91023938) has the molecular formula C92H128N4O4 and a molecular weight of 1354.06 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91023938
Molecular FormulaC92H128N4O4
Molecular Weight1354.06 g/mol
Exact Mass1352.99
IUPAC Name5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCCCCCCCCCCCCOc1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2OCCCCCCCCCCCC)c2ccc([nH]2)C(c2ccccc2OCCCCCCCCCCCC)=c2ccc([nH]2)=C(c2ccccc2OCCCCCCCCCCCC)c2ccc1[nH]2
InChIInChI=1S/C92H128N4O4/c1-5-9-13-17-21-25-29-33-37-49-69-97-85-57-45-41-53-73(85)89-77-61-63-79(93-77)90(74-54-42-46-58-86(74)98-70-50-38-34-30-26-22-18-14-10-6-2)81-65-67-83(95-81)92(76-56-44-48-60-88(76)100-72-52-40-36-32-28-24-20-16-12-8-4)84-68-66-82(96-84)91(80-64-62-78(89)94-80)75-55-43-47-59-87(75)99-71-51-39-35-31-27-23-19-15-11-7-3/h41-48,53-68,93-96H,5-40,49-52,69-72H2,1-4H3
InChIKeyJPIVJFRSPYYRIG-UHFFFAOYSA-N
XLogP23.50
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds52
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001354.06
LogP ≤ 523.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin with MolForge

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Related Compounds

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CID 70983974
4-methyl-2-(2-octoxyphenyl)pyridine
CID 158540184
1-(2-octoxyphenyl)-9H-carbazole
CID 174629986
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
12-[4-[10,15,20-tris(3,4,5-trihexoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]dodecan-1-ol
CID 91595259
trimethyl-[3-[4-[10-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-15,20-bis(4-undecoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride
CID 162194535
[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 54847198
2-octoxyaniline
CID 14747235
1-methyl-2-pentadecoxybenzene
CID 154641785
2-tridecoxyphenol
CID 67178320
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin (CID 91023938) is 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin is CCCCCCCCCCCCOc1ccccc1C1=c2ccc([nH]2)=C(c2ccccc2OCCCCCCCCCCCC)c2ccc([nH]2)C(c2ccccc2OCCCCCCCCCCCC)=c2ccc([nH]2)=C(c2ccccc2OCCCCCCCCCCCC)c2ccc1[nH]2.
What is the InChIKey of 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is JPIVJFRSPYYRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H128N4O4/c1-5-9-13-17-21-25-29-33-37-49-69-97-85-57-45-41-53-73(85)89-77-61-63-79(93-77)90(74-54-42-46-58-86(74)98-70-50-38-34-30-26-22-18-14-10-6-2)81-65-67-83(95-81)92(76-56-44-48-60-88(76)100-72-52-40-36-32-28-24-20-16-12-8-4)84-68-66-82(96-84)91(80-64-62-78(89)94-80)75-55-43-47-59-87(75)99-71-51-39-35-31-27-23-19-15-11-7-3/h41-48,53-68,93-96H,5-40,49-52,69-72H2,1-4H3.
What are the key properties of 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 1354.06 g/mol, XLogP of 23.50, 52 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91023938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).