5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile

C156H158N20O4 — CID 177448102

IUPAC5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile
SMILESCCCCCCCCCCCCOc1ccc(/C=C\c2nc(C#N)c(C#N)nc2/C=C/c2ccc(-c3c4nc(c(-c5ccc(/C=C/c6nc(C#N)c(C#N)nc6/C=C/c6ccc(OCCCCCCCCCCCC)cc6)cc5)c5ccc([nH]5)c(-c5ccc(/C=C/c6nc(C#N)c(C#N)nc6/C=C/c6ccc(OCCCCCCCCCCCC)cc6)cc5)c5nc(c(-c6ccc(/C=C/c7nc(C#N)c(C#N)nc7/C=C\c7ccc(OCCCCCCCCCCCC)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1
InChIInChI=1S/C156H158N20O4/c1-5-9-13-17-21-25-29-33-37-41-101-177-125-77-53-117(54-78-125)65-89-133-129(165-145(105-157)149(109-161)169-133)85-61-113-45-69-121(70-46-113)153-137-93-95-139(173-137)154(122-71-47-114(48-72-122)62-86-130-134(170-150(110-162)146(106-158)166-130)90-66-118-55-79-126(80-56-118)178-102-42-38-34-30-26-22-18-14-10-6-2)141-97-99-143(175-141)156(124-75-51-116(52-76-124)64-88-132-136(172-152(112-164)148(108-160)168-132)92-68-120-59-83-128(84-60-120)180-104-44-40-36-32-28-24-20-16-12-8-4)144-100-98-142(176-144)155(140-96-94-138(153)174-140)123-73-49-115(50-74-123)63-87-131-135(171-151(111-163)147(107-159)167-131)91-67-119-57-81-127(82-58-119)179-103-43-39-35-31-27-23-19-15-11-7-3/h45-100,173,176H,5-44,101-104H2,1-4H3/b85-61+,86-62+,87-63+,88-64+,89-65-,90-66-,91-67+,92-68+,153-137-,153-138-,154-139-,154-141-,155-140-,155-142-,156-143-,156-144-
InChIKeyLZVHYRNFPMPUEN-ATSNHEBISA-N
MW2377.12 g/mol
LogP40.02
Rot. Bonds68

About 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile

5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile (PubChem CID 177448102) has the molecular formula C156H158N20O4 and a molecular weight of 2377.12 g/mol. Its IUPAC name is 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile
PubChem CID177448102
Molecular FormulaC156H158N20O4
Molecular Weight2377.12 g/mol
Exact Mass2375.28
IUPAC Name5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile
SMILESCCCCCCCCCCCCOc1ccc(/C=C\c2nc(C#N)c(C#N)nc2/C=C/c2ccc(-c3c4nc(c(-c5ccc(/C=C/c6nc(C#N)c(C#N)nc6/C=C/c6ccc(OCCCCCCCCCCCC)cc6)cc5)c5ccc([nH]5)c(-c5ccc(/C=C/c6nc(C#N)c(C#N)nc6/C=C/c6ccc(OCCCCCCCCCCCC)cc6)cc5)c5nc(c(-c6ccc(/C=C/c7nc(C#N)c(C#N)nc7/C=C\c7ccc(OCCCCCCCCCCCC)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1
InChIInChI=1S/C156H158N20O4/c1-5-9-13-17-21-25-29-33-37-41-101-177-125-77-53-117(54-78-125)65-89-133-129(165-145(105-157)149(109-161)169-133)85-61-113-45-69-121(70-46-113)153-137-93-95-139(173-137)154(122-71-47-114(48-72-122)62-86-130-134(170-150(110-162)146(106-158)166-130)90-66-118-55-79-126(80-56-118)178-102-42-38-34-30-26-22-18-14-10-6-2)141-97-99-143(175-141)156(124-75-51-116(52-76-124)64-88-132-136(172-152(112-164)148(108-160)168-132)92-68-120-59-83-128(84-60-120)180-104-44-40-36-32-28-24-20-16-12-8-4)144-100-98-142(176-144)155(140-96-94-138(153)174-140)123-73-49-115(50-74-123)63-87-131-135(171-151(111-163)147(107-159)167-131)91-67-119-57-81-127(82-58-119)179-103-43-39-35-31-27-23-19-15-11-7-3/h45-100,173,176H,5-44,101-104H2,1-4H3/b85-61+,86-62+,87-63+,88-64+,89-65-,90-66-,91-67+,92-68+,153-137-,153-138-,154-139-,154-141-,155-140-,155-142-,156-143-,156-144-
InChIKeyLZVHYRNFPMPUEN-ATSNHEBISA-N
XLogP40.02
TPSA387.72 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds68
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002377.12
LogP ≤ 540.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile with MolForge

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Related Compounds

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
5,15-bis(4-octadecoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 136754426
3-[4-[10,15-bis[4-[3-(trimethylazaniumyl)propoxy]phenyl]-20-(4-undecoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]propyl-trimethylazanium triiodide
CID 135469270
4-[10,15,20-tris(4-octadecoxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 136916252
5,10-bis(4-dodecoxyphenyl)-15,20-dipyridin-3-yl-21,23-dihydroporphyrin
CID 137187412
5,15-bis(4-dodecoxyphenyl)-10,20-bis(1H-imidazol-5-yl)-21,23-dihydroporphyrin
CID 136670908
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
CID 101169177
4-[10,20-bis(4-butoxy-3,5-dimethoxyphenyl)-15-(4-cyanophenyl)-21,23-dihydroporphyrin-5-yl]benzonitrile
CID 137247156
4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde
CID 102143906
trimethyl-[4-[4-[10,15,20-tris[4-[4-(trimethylazaniumyl)butoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butyl]azanium
CID 136707614

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile (CID 177448102) is 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile is CCCCCCCCCCCCOc1ccc(/C=C\c2nc(C#N)c(C#N)nc2/C=C/c2ccc(-c3c4nc(c(-c5ccc(/C=C/c6nc(C#N)c(C#N)nc6/C=C/c6ccc(OCCCCCCCCCCCC)cc6)cc5)c5ccc([nH]5)c(-c5ccc(/C=C/c6nc(C#N)c(C#N)nc6/C=C/c6ccc(OCCCCCCCCCCCC)cc6)cc5)c5nc(c(-c6ccc(/C=C/c7nc(C#N)c(C#N)nc7/C=C\c7ccc(OCCCCCCCCCCCC)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1.
What is the InChIKey of 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile?
The InChIKey is LZVHYRNFPMPUEN-ATSNHEBISA-N. The full InChI is InChI=1S/C156H158N20O4/c1-5-9-13-17-21-25-29-33-37-41-101-177-125-77-53-117(54-78-125)65-89-133-129(165-145(105-157)149(109-161)169-133)85-61-113-45-69-121(70-46-113)153-137-93-95-139(173-137)154(122-71-47-114(48-72-122)62-86-130-134(170-150(110-162)146(106-158)166-130)90-66-118-55-79-126(80-56-118)178-102-42-38-34-30-26-22-18-14-10-6-2)141-97-99-143(175-141)156(124-75-51-116(52-76-124)64-88-132-136(172-152(112-164)148(108-160)168-132)92-68-120-59-83-128(84-60-120)180-104-44-40-36-32-28-24-20-16-12-8-4)144-100-98-142(176-144)155(140-96-94-138(153)174-140)123-73-49-115(50-74-123)63-87-131-135(171-151(111-163)147(107-159)167-131)91-67-119-57-81-127(82-58-119)179-103-43-39-35-31-27-23-19-15-11-7-3/h45-100,173,176H,5-44,101-104H2,1-4H3/b85-61+,86-62+,87-63+,88-64+,89-65-,90-66-,91-67+,92-68+,153-137-,153-138-,154-139-,154-141-,155-140-,155-142-,156-143-,156-144-.
What are the key properties of 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile?
5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile has a molecular weight of 2377.12 g/mol, XLogP of 40.02, 68 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-[20-[4-[(E)-2-[5,6-dicyano-3-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-10,15-bis[4-[(E)-2-[5,6-dicyano-3-[(E)-2-(4-dodecoxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethenyl]-6-[(Z)-2-(4-dodecoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 177448102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).