5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin

C132H208N4O4 — CID 90936318

IUPAC5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1ccc(C2=c3ccc([nH]3)=C(c3ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc3)c3ccc([nH]3)C(c3ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc3)=c3ccc([nH]3)=C(c3ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C132H208N4O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-109-137-117-93-85-113(86-94-117)129-121-101-103-123(133-121)130(114-87-95-118(96-88-114)138-110-82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)125-105-107-127(135-125)132(116-91-99-120(100-92-116)140-112-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)128-108-106-126(136-128)131(124-104-102-122(129)134-124)115-89-97-119(98-90-115)139-111-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h85-108,133-136H,5-84,109-112H2,1-4H3
InChIKeyDLJCMVJQIZVUAZ-UHFFFAOYSA-N
MW1915.14 g/mol
LogP39.10
Rot. Bonds92

About 5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 90936318) has the molecular formula C132H208N4O4 and a molecular weight of 1915.14 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID90936318
Molecular FormulaC132H208N4O4
Molecular Weight1915.14 g/mol
Exact Mass1913.62
IUPAC Name5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1ccc(C2=c3ccc([nH]3)=C(c3ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc3)c3ccc([nH]3)C(c3ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc3)=c3ccc([nH]3)=C(c3ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C132H208N4O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-109-137-117-93-85-113(86-94-117)129-121-101-103-123(133-121)130(114-87-95-118(96-88-114)138-110-82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)125-105-107-127(135-125)132(116-91-99-120(100-92-116)140-112-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)128-108-106-126(136-128)131(124-104-102-122(129)134-124)115-89-97-119(98-90-115)139-111-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h85-108,133-136H,5-84,109-112H2,1-4H3
InChIKeyDLJCMVJQIZVUAZ-UHFFFAOYSA-N
XLogP39.10
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds92
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001915.14
LogP ≤ 539.10
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(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin with MolForge

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Related Compounds

Exeporfinium chloride
CID 135456185
5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin
CID 135404412
5,15-Bis(4-methoxyphenyl)porphyrin
CID 135922930
2-[2,3,5,6-Tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol
CID 135960762
5-(4-Methoxyphenyl)-15-phenylporphyrin
CID 135404821
5-(3-Methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135503083
2-[4-(10,15,20-Triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethyl nitrate
CID 135869413
2-[3-[10,15,20-Tris[3-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol
CID 135923710
3-[10-[3-(2-Hydroxyethoxy)phenyl]-15-(3-hydroxyphenyl)-20-(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135960763
3-[15,20-Bis[3-(2-hydroxyethoxy)phenyl]-10-(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135960764
3-[15,20-Bis[3-(2-hydroxyethoxy)phenyl]-10-[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenol
CID 135960765
(2Z)-3-methoxy-5-[5-[(4-methoxyphenyl)methyl]-1H-pyrrol-2-yl]-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]pyrrole;hydrochloride
CID 166635825

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin (CID 90936318) is 5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin is CCCCCCCCCCCCCCCCCCCCCCOc1ccc(C2=c3ccc([nH]3)=C(c3ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc3)c3ccc([nH]3)C(c3ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc3)=c3ccc([nH]3)=C(c3ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is DLJCMVJQIZVUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H208N4O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-109-137-117-93-85-113(86-94-117)129-121-101-103-123(133-121)130(114-87-95-118(96-88-114)138-110-82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)125-105-107-127(135-125)132(116-91-99-120(100-92-116)140-112-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)128-108-106-126(136-128)131(124-104-102-122(129)134-124)115-89-97-119(98-90-115)139-111-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h85-108,133-136H,5-84,109-112H2,1-4H3.
What are the key properties of 5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 1915.14 g/mol, XLogP of 39.10, 92 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(4-docosoxyphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 90936318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).