5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin

C151H156N4O2Si2 — CID 136635745

IUPAC5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#COc1ccc([Si]2(CCCCCCCCCCCCCCCC)c3ccccc3-c3ccc(-c4c5nc(cc6ccc([nH]6)c(-c6ccc7c(c6)[Si](c6cc(CCCCCCCCCC)cc(CCCCCCCCCC)c6)(c6ccc(OCCCCCCCCCCCC)c(CCCCCCCC)c6)c6ccccc6-7)c6nc(cc7ccc4[nH]7)C=C6)C=C5)cc32)cc1C
InChIInChI=1S/C151H156N4O2Si2/c1-8-14-20-26-32-37-40-42-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-62-65-69-75-85-111-156-144-109-101-133(114-123(144)7)158(113-87-77-71-66-63-61-43-41-38-33-27-21-15-9-2)146-93-83-81-91-136(146)138-103-95-127(119-148(138)158)150-140-105-97-129(152-140)121-131-99-107-142(154-131)151(143-108-100-132(155-143)122-130-98-106-141(150)153-130)128-96-104-139-137-92-82-84-94-147(137)159(149(139)120-128,135-116-124(88-78-72-67-35-29-23-17-11-4)115-125(117-135)89-79-73-68-36-30-24-18-12-5)134-102-110-145(126(118-134)90-80-74-31-25-19-13-6)157-112-86-76-70-64-39-34-28-22-16-10-3/h1,81-84,91-110,114-122,152,155H,9-13,15-19,21-25,27-31,33-36,38-39,41,43,61,63-64,66-68,70-74,76-80,86-90,112-113H2,2-7H3/b129-121-,130-122-,131-121-,132-122-,150-140-,150-141-,151-142-,151-143-
InChIKeyFBEWVVGASDYNHZ-AAWAKFLUSA-N
MW2115.11 g/mol
LogP31.18
Rot. Bonds58

About 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin

5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin (PubChem CID 136635745) has the molecular formula C151H156N4O2Si2 and a molecular weight of 2115.11 g/mol. Its IUPAC name is 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin
PubChem CID136635745
Molecular FormulaC151H156N4O2Si2
Molecular Weight2115.11 g/mol
Exact Mass2113.18
IUPAC Name5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#COc1ccc([Si]2(CCCCCCCCCCCCCCCC)c3ccccc3-c3ccc(-c4c5nc(cc6ccc([nH]6)c(-c6ccc7c(c6)[Si](c6cc(CCCCCCCCCC)cc(CCCCCCCCCC)c6)(c6ccc(OCCCCCCCCCCCC)c(CCCCCCCC)c6)c6ccccc6-7)c6nc(cc7ccc4[nH]7)C=C6)C=C5)cc32)cc1C
InChIInChI=1S/C151H156N4O2Si2/c1-8-14-20-26-32-37-40-42-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-62-65-69-75-85-111-156-144-109-101-133(114-123(144)7)158(113-87-77-71-66-63-61-43-41-38-33-27-21-15-9-2)146-93-83-81-91-136(146)138-103-95-127(119-148(138)158)150-140-105-97-129(152-140)121-131-99-107-142(154-131)151(143-108-100-132(155-143)122-130-98-106-141(150)153-130)128-96-104-139-137-92-82-84-94-147(137)159(149(139)120-128,135-116-124(88-78-72-67-35-29-23-17-11-4)115-125(117-135)89-79-73-68-36-30-24-18-12-5)134-102-110-145(126(118-134)90-80-74-31-25-19-13-6)157-112-86-76-70-64-39-34-28-22-16-10-3/h1,81-84,91-110,114-122,152,155H,9-13,15-19,21-25,27-31,33-36,38-39,41,43,61,63-64,66-68,70-74,76-80,86-90,112-113H2,2-7H3/b129-121-,130-122-,131-121-,132-122-,150-140-,150-141-,151-142-,151-143-
InChIKeyFBEWVVGASDYNHZ-AAWAKFLUSA-N
XLogP31.18
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds58
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002115.11
LogP ≤ 531.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin?
The IUPAC name of 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin (CID 136635745) is 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin?
The canonical SMILES for 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#COc1ccc([Si]2(CCCCCCCCCCCCCCCC)c3ccccc3-c3ccc(-c4c5nc(cc6ccc([nH]6)c(-c6ccc7c(c6)[Si](c6cc(CCCCCCCCCC)cc(CCCCCCCCCC)c6)(c6ccc(OCCCCCCCCCCCC)c(CCCCCCCC)c6)c6ccccc6-7)c6nc(cc7ccc4[nH]7)C=C6)C=C5)cc32)cc1C.
What is the InChIKey of 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin?
The InChIKey is FBEWVVGASDYNHZ-AAWAKFLUSA-N. The full InChI is InChI=1S/C151H156N4O2Si2/c1-8-14-20-26-32-37-40-42-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-62-65-69-75-85-111-156-144-109-101-133(114-123(144)7)158(113-87-77-71-66-63-61-43-41-38-33-27-21-15-9-2)146-93-83-81-91-136(146)138-103-95-127(119-148(138)158)150-140-105-97-129(152-140)121-131-99-107-142(154-131)151(143-108-100-132(155-143)122-130-98-106-141(150)153-130)128-96-104-139-137-92-82-84-94-147(137)159(149(139)120-128,135-116-124(88-78-72-67-35-29-23-17-11-4)115-125(117-135)89-79-73-68-36-30-24-18-12-5)134-102-110-145(126(118-134)90-80-74-31-25-19-13-6)157-112-86-76-70-64-39-34-28-22-16-10-3/h1,81-84,91-110,114-122,152,155H,9-13,15-19,21-25,27-31,33-36,38-39,41,43,61,63-64,66-68,70-74,76-80,86-90,112-113H2,2-7H3/b129-121-,130-122-,131-121-,132-122-,150-140-,150-141-,151-142-,151-143-.
What are the key properties of 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin?
5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin has a molecular weight of 2115.11 g/mol, XLogP of 31.18, 58 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilol-3-yl]-15-[5-(4-dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaynoxy-3-methylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin is sourced from PubChem (CID 136635745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).