5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole

C293H440N6O6Si4 — CID 157374963

IUPAC5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
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.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#COc1ccc([Si]2(CCCCCCCCCCCCCCCC)c3ccccc3-c3ccc(C=O)cc32)cc1C.CCCCCCCCCCCCOc1ccc([Si]2(c3cc(CCCCCCCCCC)cc(CCCCCCCCCC)c3)c3ccccc3-c3ccc(C=O)cc32)cc1CCCCCCCC.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1c[nH]c(Cc2ccc[nH]2)c1
InChIInChI=1S/C151H156N4O2Si2.C68H48O2Si.C65H98O2Si.C9H10N2.64H2/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;1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-48-56-70-66-55-53-63(58-61(66)3)71(57-49-45-43-41-39-37-19-17-15-13-11-9-7-5-2)67-51-47-46-50-64(67)65-54-52-62(60-69)59-68(65)71;1-5-9-13-17-21-24-25-28-32-38-48-67-63-47-45-59(53-58(63)41-35-31-20-16-12-8-4)68(64-43-37-36-42-61(64)62-46-44-57(54-66)52-65(62)68)60-50-55(39-33-29-26-22-18-14-10-6-2)49-56(51-60)40-34-30-27-23-19-15-11-7-3;1-3-8(10-5-1)7-9-4-2-6-11-9;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/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;1,46-47,50-55,58-60H,5,7,9,11,13,15,17,19,37,39,41,43,45,49,57H2,2-3H3;36-37,42-47,49-54H,5-35,38-41,48H2,1-4H3;1-6,10-11H,7H2;64*1H/b129-121-,130-122-,131-121-,132-122-,150-140-,150-141-,151-142-,151-143-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyBKFHKDNFJGIVNW-VKGLTGKYSA-N
MW4255.12 g/mol
LogP75.04
Rot. Bonds118

About 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole

5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole (PubChem CID 157374963) has the molecular formula C293H440N6O6Si4 and a molecular weight of 4255.12 g/mol. Its IUPAC name is 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole.

Molecular Properties

Compound Name5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
PubChem CID157374963
Molecular FormulaC293H440N6O6Si4
Molecular Weight4255.12 g/mol
Exact Mass4251.34
IUPAC Name5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
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.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#COc1ccc([Si]2(CCCCCCCCCCCCCCCC)c3ccccc3-c3ccc(C=O)cc32)cc1C.CCCCCCCCCCCCOc1ccc([Si]2(c3cc(CCCCCCCCCC)cc(CCCCCCCCCC)c3)c3ccccc3-c3ccc(C=O)cc32)cc1CCCCCCCC.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1c[nH]c(Cc2ccc[nH]2)c1
InChIInChI=1S/C151H156N4O2Si2.C68H48O2Si.C65H98O2Si.C9H10N2.64H2/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;1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-48-56-70-66-55-53-63(58-61(66)3)71(57-49-45-43-41-39-37-19-17-15-13-11-9-7-5-2)67-51-47-46-50-64(67)65-54-52-62(60-69)59-68(65)71;1-5-9-13-17-21-24-25-28-32-38-48-67-63-47-45-59(53-58(63)41-35-31-20-16-12-8-4)68(64-43-37-36-42-61(64)62-46-44-57(54-66)52-65(62)68)60-50-55(39-33-29-26-22-18-14-10-6-2)49-56(51-60)40-34-30-27-23-19-15-11-7-3;1-3-8(10-5-1)7-9-4-2-6-11-9;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/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;1,46-47,50-55,58-60H,5,7,9,11,13,15,17,19,37,39,41,43,45,49,57H2,2-3H3;36-37,42-47,49-54H,5-35,38-41,48H2,1-4H3;1-6,10-11H,7H2;64*1H/b129-121-,130-122-,131-121-,132-122-,150-140-,150-141-,151-142-,151-143-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyBKFHKDNFJGIVNW-VKGLTGKYSA-N
XLogP75.04
TPSA160.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds118
Heavy Atoms309
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004255.12
LogP ≤ 575.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole with MolForge

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Related Compounds

5,15-Bis[5-(4-hexadecoxy-3-hexadecylphenyl)-5-hexadecylbenzo[b][1]benzosilol-3-yl]-21,23-dihydroporphyrin
CID 136635743
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
1-[5-[1-benzofuran-2-yl-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone;1-[5-[1-benzofuran-2-yl-(5-methyl-1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone;1-[5-[1-benzofuran-2-yl(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 145620371
methyl 2-[5-[3-[4-(2-methoxycarbonylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]-5-[3-phenoxy-4-[4-[3-[5-(2-phenoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl]benzoate
CID 147833115
4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
CID 157100858
acetic acid;4-[10,20-bis(4-carboxyphenyl)-15-(4-formyloxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid;4-formylbenzoic acid;1H-pyrrole
CID 157380747
(E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one;(E)-1-(2-ethoxyphenyl)-3-(1H-indol-5-yl)prop-2-en-1-one;(E)-1-(3-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one;(E)-1-(3-ethoxyphenyl)-3-(1H-indol-5-yl)prop-2-en-1-one;(E)-1-(4-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one;(E)-1-(4-ethoxyphenyl)-3-(1H-indol-5-yl)prop-2-en-1-one
CID 157408280
4-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
CID 157742351
bis(2-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]ethanol);4-decoxybenzaldehyde;2-[4-[20-(4-decoxyphenyl)-10,15-bis[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol;dichloromethane;bis(4-(2-hydroxyethoxy)benzaldehyde);methane;1H-pyrrole
CID 158373129
ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane
CID 159021335
9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole
CID 159045121
5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 159476890

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
The IUPAC name of 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole (CID 157374963) is 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole.
What is the SMILES notation for 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
The canonical SMILES for 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole 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.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#COc1ccc([Si]2(CCCCCCCCCCCCCCCC)c3ccccc3-c3ccc(C=O)cc32)cc1C.CCCCCCCCCCCCOc1ccc([Si]2(c3cc(CCCCCCCCCC)cc(CCCCCCCCCC)c3)c3ccccc3-c3ccc(C=O)cc32)cc1CCCCCCCC.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1c[nH]c(Cc2ccc[nH]2)c1.
What is the InChIKey of 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
The InChIKey is BKFHKDNFJGIVNW-VKGLTGKYSA-N. The full InChI is InChI=1S/C151H156N4O2Si2.C68H48O2Si.C65H98O2Si.C9H10N2.64H2/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;1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-48-56-70-66-55-53-63(58-61(66)3)71(57-49-45-43-41-39-37-19-17-15-13-11-9-7-5-2)67-51-47-46-50-64(67)65-54-52-62(60-69)59-68(65)71;1-5-9-13-17-21-24-25-28-32-38-48-67-63-47-45-59(53-58(63)41-35-31-20-16-12-8-4)68(64-43-37-36-42-61(64)62-46-44-57(54-66)52-65(62)68)60-50-55(39-33-29-26-22-18-14-10-6-2)49-56(51-60)40-34-30-27-23-19-15-11-7-3;1-3-8(10-5-1)7-9-4-2-6-11-9;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/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;1,46-47,50-55,58-60H,5,7,9,11,13,15,17,19,37,39,41,43,45,49,57H2,2-3H3;36-37,42-47,49-54H,5-35,38-41,48H2,1-4H3;1-6,10-11H,7H2;64*1H/b129-121-,130-122-,131-121-,132-122-,150-140-,150-141-,151-142-,151-143-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole has a molecular weight of 4255.12 g/mol, XLogP of 75.04, 118 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-didecylphenyl)-5-(4-dodecoxy-3-octylphenyl)benzo[b][1]benzosilole-3-carbaldehyde;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-(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]benzosilole-3-carbaldehyde;molecular hydrogen;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole is sourced from PubChem (CID 157374963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).