5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin

C78H114N4O20 — CID 136845686

IUPAC5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin
SMILESCCCCCCCCCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCC(COCC(OCCOCCOCCOC)OCCOCCOCCOC)COCC(OCCOCCOCCOC)OCCOCCOCCOC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C78H114N4O20/c1-6-7-8-9-10-11-12-13-30-97-69-22-14-63(15-23-69)77-71-26-18-65(79-71)55-67-20-28-73(81-67)78(74-29-21-68(82-74)56-66-19-27-72(77)80-66)64-16-24-70(25-17-64)102-59-62(57-95-60-75(98-51-47-91-43-39-87-35-31-83-2)99-52-48-92-44-40-88-36-32-84-3)58-96-61-76(100-53-49-93-45-41-89-37-33-85-4)101-54-50-94-46-42-90-38-34-86-5/h14-29,55-56,62,75-76,79,82H,6-13,30-54,57-61H2,1-5H3/b65-55-,66-56-,67-55-,68-56-,77-71-,77-72-,78-73-,78-74-
InChIKeyKERSHGAGKQUHMB-LNBMHNAZSA-N
MW1427.78 g/mol
LogP11.97
Rot. Bonds63

About 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin

5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 136845686) has the molecular formula C78H114N4O20 and a molecular weight of 1427.78 g/mol. Its IUPAC name is 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin
PubChem CID136845686
Molecular FormulaC78H114N4O20
Molecular Weight1427.78 g/mol
Exact Mass1426.80
IUPAC Name5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin
SMILESCCCCCCCCCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCC(COCC(OCCOCCOCCOC)OCCOCCOCCOC)COCC(OCCOCCOCCOC)OCCOCCOCCOC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C78H114N4O20/c1-6-7-8-9-10-11-12-13-30-97-69-22-14-63(15-23-69)77-71-26-18-65(79-71)55-67-20-28-73(81-67)78(74-29-21-68(82-74)56-66-19-27-72(77)80-66)64-16-24-70(25-17-64)102-59-62(57-95-60-75(98-51-47-91-43-39-87-35-31-83-2)99-52-48-92-44-40-88-36-32-84-3)58-96-61-76(100-53-49-93-45-41-89-37-33-85-4)101-54-50-94-46-42-90-38-34-86-5/h14-29,55-56,62,75-76,79,82H,6-13,30-54,57-61H2,1-5H3/b65-55-,66-56-,67-55-,68-56-,77-71-,77-72-,78-73-,78-74-
InChIKeyKERSHGAGKQUHMB-LNBMHNAZSA-N
XLogP11.97
TPSA241.96 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds63
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001427.78
LogP ≤ 511.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin with MolForge

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Related Compounds

5-(4-dodecoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 141095014
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
CID 136760152
3-[4-[15-(4-dodecoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]propyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride
CID 135535833
trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium
CID 135456186
5,15-bis(3,4-dihexadecoxyphenyl)-21,23-dihydroporphyrin
CID 136740509
trimethyl-[2-[4-[15-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium
CID 135466414
trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride
CID 135456185
ethyl 4-[4-[15-[4-(4-ethoxy-4-oxobutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate
CID 135451095
10-[2-[10,20-bis[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]ethynyl]-5,15-bis[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin
CID 101379279
2-[10,20-bis[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]ethynyl-trimethylsilane
CID 136913144
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin (CID 136845686) is 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin is CCCCCCCCCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCC(COCC(OCCOCCOCCOC)OCCOCCOCCOC)COCC(OCCOCCOCCOC)OCCOCCOCCOC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is KERSHGAGKQUHMB-LNBMHNAZSA-N. The full InChI is InChI=1S/C78H114N4O20/c1-6-7-8-9-10-11-12-13-30-97-69-22-14-63(15-23-69)77-71-26-18-65(79-71)55-67-20-28-73(81-67)78(74-29-21-68(82-74)56-66-19-27-72(77)80-66)64-16-24-70(25-17-64)102-59-62(57-95-60-75(98-51-47-91-43-39-87-35-31-83-2)99-52-48-92-44-40-88-36-32-84-3)58-96-61-76(100-53-49-93-45-41-89-37-33-85-4)101-54-50-94-46-42-90-38-34-86-5/h14-29,55-56,62,75-76,79,82H,6-13,30-54,57-61H2,1-5H3/b65-55-,66-56-,67-55-,68-56-,77-71-,77-72-,78-73-,78-74-.
What are the key properties of 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin?
5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin has a molecular weight of 1427.78 g/mol, XLogP of 11.97, 63 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-[2,2-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]phenyl]-15-(4-decoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 136845686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).