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

C122H154N8O32 — CID 101379279

IUPAC10-[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
SMILESCOCCOCCOCCOc1cc(OCCOCCOCCOC)cc(-c2c3nc(c(C#Cc4c5nc(c(-c6cc(OCCOCCOCCOC)cc(OCCOCCOCCOC)c6)c6ccc(cc7nc(c(-c8cc(OCCOCCOCCOC)cc(OCCOCCOCCOC)c8)c8ccc4[nH]8)C=C7)[nH]6)C=C5)c4ccc([nH]4)c(-c4cc(OCCOCCOCCOC)cc(OCCOCCOCCOC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C122H154N8O32/c1-131-27-35-139-43-51-147-59-67-155-97-75-89(76-98(85-97)156-68-60-148-52-44-140-36-28-132-2)119-111-15-9-93(123-111)83-94-10-16-112(124-94)120(90-77-99(157-69-61-149-53-45-141-37-29-133-3)86-100(78-90)158-70-62-150-54-46-142-38-30-134-4)116-24-20-108(128-116)105(107-19-23-115(119)127-107)13-14-106-109-21-25-117(129-109)121(91-79-101(159-71-63-151-55-47-143-39-31-135-5)87-102(80-91)160-72-64-152-56-48-144-40-32-136-6)113-17-11-95(125-113)84-96-12-18-114(126-96)122(118-26-22-110(106)130-118)92-81-103(161-73-65-153-57-49-145-41-33-137-7)88-104(82-92)162-74-66-154-58-50-146-42-34-138-8/h9-12,15-26,75-88,123,125,128,130H,27-74H2,1-8H3/b93-83-,94-83-,95-84-,96-84-,107-105-,108-105-,109-106-,110-106-,119-111-,119-115-,120-112-,120-116-,121-113-,121-117-,122-114-,122-118-
InChIKeyCYDYWTHYXQWDTG-KKMJUQFSSA-N
MW2244.60 g/mol
LogP16.16
Rot. Bonds84

About 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

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 (PubChem CID 101379279) has the molecular formula C122H154N8O32 and a molecular weight of 2244.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID101379279
Molecular FormulaC122H154N8O32
Molecular Weight2244.60 g/mol
Exact Mass2243.07
IUPAC Name10-[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
SMILESCOCCOCCOCCOc1cc(OCCOCCOCCOC)cc(-c2c3nc(c(C#Cc4c5nc(c(-c6cc(OCCOCCOCCOC)cc(OCCOCCOCCOC)c6)c6ccc(cc7nc(c(-c8cc(OCCOCCOCCOC)cc(OCCOCCOCCOC)c8)c8ccc4[nH]8)C=C7)[nH]6)C=C5)c4ccc([nH]4)c(-c4cc(OCCOCCOCCOC)cc(OCCOCCOCCOC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C122H154N8O32/c1-131-27-35-139-43-51-147-59-67-155-97-75-89(76-98(85-97)156-68-60-148-52-44-140-36-28-132-2)119-111-15-9-93(123-111)83-94-10-16-112(124-94)120(90-77-99(157-69-61-149-53-45-141-37-29-133-3)86-100(78-90)158-70-62-150-54-46-142-38-30-134-4)116-24-20-108(128-116)105(107-19-23-115(119)127-107)13-14-106-109-21-25-117(129-109)121(91-79-101(159-71-63-151-55-47-143-39-31-135-5)87-102(80-91)160-72-64-152-56-48-144-40-32-136-6)113-17-11-95(125-113)84-96-12-18-114(126-96)122(118-26-22-110(106)130-118)92-81-103(161-73-65-153-57-49-145-41-33-137-7)88-104(82-92)162-74-66-154-58-50-146-42-34-138-8/h9-12,15-26,75-88,123,125,128,130H,27-74H2,1-8H3/b93-83-,94-83-,95-84-,96-84-,107-105-,108-105-,109-106-,110-106-,119-111-,119-115-,120-112-,120-116-,121-113-,121-117-,122-114-,122-118-
InChIKeyCYDYWTHYXQWDTG-KKMJUQFSSA-N
XLogP16.16
TPSA410.08 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds84
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.60
LogP ≤ 516.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[10,20-bis[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]ethynyl-trimethylsilane
CID 136913144
2,7-bis[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-13,20,25,26,27-pentazapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1,3,5,7,9,11(26),12,14,16,18,20,22(25),23-tridecaene
CID 136749594
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
CID 136760152
5-bromo-15-[4-[15-bromo-10,20-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]buta-1,3-diynyl]-10,20-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin
CID 25228038
5-[2-[10,20-bis(3-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]ethynyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 71747612
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500
5-[10,20-bis(2-phenylethynyl)-21,23-dihydroporphyrin-5-yl]-10,20-bis(2-phenylethynyl)-15-[4-[10,15,20-tris(2-phenylethynyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102356047
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
CID 135456186
2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 173327875
4-[10,15,20-tris[3,5-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 102176939
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCOCCOCCOc1cc(OCCOCCOCCOC)cc(-c2c3nc(c(C#Cc4c5nc(c(-c6cc(OCCOCCOCCOC)cc(OCCOCCOCCOC)c6)c6ccc(cc7nc(c(-c8cc(OCCOCCOCCOC)cc(OCCOCCOCCOC)c8)c8ccc4[nH]8)C=C7)[nH]6)C=C5)c4ccc([nH]4)c(-c4cc(OCCOCCOCCOC)cc(OCCOCCOCCOC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1.
What is the InChIKey of 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?
The InChIKey is CYDYWTHYXQWDTG-KKMJUQFSSA-N. The full InChI is InChI=1S/C122H154N8O32/c1-131-27-35-139-43-51-147-59-67-155-97-75-89(76-98(85-97)156-68-60-148-52-44-140-36-28-132-2)119-111-15-9-93(123-111)83-94-10-16-112(124-94)120(90-77-99(157-69-61-149-53-45-141-37-29-133-3)86-100(78-90)158-70-62-150-54-46-142-38-30-134-4)116-24-20-108(128-116)105(107-19-23-115(119)127-107)13-14-106-109-21-25-117(129-109)121(91-79-101(159-71-63-151-55-47-143-39-31-135-5)87-102(80-91)160-72-64-152-56-48-144-40-32-136-6)113-17-11-95(125-113)84-96-12-18-114(126-96)122(118-26-22-110(106)130-118)92-81-103(161-73-65-153-57-49-145-41-33-137-7)88-104(82-92)162-74-66-154-58-50-146-42-34-138-8/h9-12,15-26,75-88,123,125,128,130H,27-74H2,1-8H3/b93-83-,94-83-,95-84-,96-84-,107-105-,108-105-,109-106-,110-106-,119-111-,119-115-,120-112-,120-116-,121-113-,121-117-,122-114-,122-118-.
What are the key properties of 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?
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 has a molecular weight of 2244.60 g/mol, XLogP of 16.16, 84 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101379279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).