trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid

C367H394N22O18Zn3 — CID 158378408

IUPACtrizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid
SMILESCCCCCCCCCCCCOc1cccc(C)c1-c1c2nc(c(N(c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc([n-]3)c(-c3c(C)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ccc(-c5ccc(C(=O)O)cc5)c5cc(-c6ccccc6)c(-c6ccccc6)nc45)c4ccc1[n-]4)C=C3)C=C2.CCCCCCCCCCCCOc1cccc(C)c1-c1c2nc(c(N(c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc([n-]3)c(-c3c(C)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ccc(-c5ccc(C(=O)O)cc5)c5nn(-c6ccccc6)nc45)c4ccc1[n-]4)C=C3)C=C2.CCCCCCCCCCCCOc1cccc(C)c1-c1c2nc(c(N(c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc([n-]3)c(-c3c(C)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ncc(-c5ccc(C(=O)O)cc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/C126H135N6O6.C124H133N8O6.C117H129N8O6.3Zn/c1-9-13-17-21-23-25-27-29-31-41-81-135-115-51-43-45-90(7)119(115)121-109-75-73-107(127-109)104(72-64-97-63-71-101(93-55-57-98(58-56-93)126(133)134)106-87-105(92-47-35-33-36-48-92)123(131-124(97)106)96-49-37-34-38-50-96)108-74-76-110(128-108)122(120-91(8)46-44-52-116(120)136-82-42-32-30-28-26-24-22-18-14-10-2)112-78-80-114(130-112)125(113-79-77-111(121)129-113)132(99-65-59-94(60-66-99)102-69-53-88(5)85-117(102)137-83-39-19-15-11-3)100-67-61-95(62-68-100)103-70-54-89(6)86-118(103)138-84-40-20-16-12-4;1-9-13-17-21-23-25-27-29-31-41-79-135-111-51-43-45-88(7)115(111)117-104-73-71-102(126-104)100(69-70-108-122-121(101(85-125-108)92-55-57-95(58-56-92)124(133)134)130-119(93-47-35-33-36-48-93)120(131-122)94-49-37-34-38-50-94)103-72-74-105(127-103)118(116-89(8)46-44-52-112(116)136-80-42-32-30-28-26-24-22-18-14-10-2)107-76-78-110(129-107)123(109-77-75-106(117)128-109)132(96-63-59-90(60-64-96)98-67-53-86(5)83-113(98)137-81-39-19-15-11-3)97-65-61-91(62-66-97)99-68-54-87(6)84-114(99)138-82-40-20-16-12-4;1-9-13-17-21-23-25-27-29-31-38-76-128-106-46-40-42-84(7)110(106)112-100-70-68-98(118-100)97(67-59-89-58-66-96(88-50-52-90(53-51-88)117(126)127)115-114(89)122-125(123-115)93-44-34-33-35-45-93)99-69-71-101(119-99)113(111-85(8)43-41-47-107(111)129-77-39-32-30-28-26-24-22-18-14-10-2)103-73-75-105(121-103)116(104-74-72-102(112)120-104)124(91-60-54-86(55-61-91)94-64-48-82(5)80-108(94)130-78-36-19-15-11-3)92-62-56-87(57-63-92)95-65-49-83(6)81-109(95)131-79-37-20-16-12-4;;;/h33-38,43-63,65-71,73-80,85-87H,9-32,39-42,81-84H2,1-8H3,(H2-,127,128,129,130,133,134);33-38,43-68,71-78,83-85H,9-32,39-42,79-82H2,1-8H3,(H2-,125,126,127,128,129,130,131,133,134);33-35,40-58,60-66,68-75,80-81H,9-32,36-39,76-79H2,1-8H3,(H2-,118,119,120,121,122,123,126,127);;;/q3*-1;3*+2/p-3/b107-104-,108-104-,121-109+,121-111+,122-110+,122-112+,125-113+,125-114+;102-100-,103-100-,117-104+,117-106+,118-105+,118-107+,123-109+,123-110+;98-97-,99-97-,112-100+,112-102+,113-101+,113-103+,116-104+,116-105+;;;
InChIKeyGVMHRULKCCSXJF-RZKRLKDPSA-K
MW5597.50 g/mol
LogP98.98
Rot. Bonds140

About trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid

trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid (PubChem CID 158378408) has the molecular formula C367H394N22O18Zn3 and a molecular weight of 5597.50 g/mol. Its IUPAC name is trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid.

Molecular Properties

Compound Nametrizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid
PubChem CID158378408
Molecular FormulaC367H394N22O18Zn3
Molecular Weight5597.50 g/mol
Exact Mass5588.85
IUPAC Nametrizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid
SMILESCCCCCCCCCCCCOc1cccc(C)c1-c1c2nc(c(N(c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc([n-]3)c(-c3c(C)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ccc(-c5ccc(C(=O)O)cc5)c5cc(-c6ccccc6)c(-c6ccccc6)nc45)c4ccc1[n-]4)C=C3)C=C2.CCCCCCCCCCCCOc1cccc(C)c1-c1c2nc(c(N(c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc([n-]3)c(-c3c(C)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ccc(-c5ccc(C(=O)O)cc5)c5nn(-c6ccccc6)nc45)c4ccc1[n-]4)C=C3)C=C2.CCCCCCCCCCCCOc1cccc(C)c1-c1c2nc(c(N(c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc([n-]3)c(-c3c(C)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ncc(-c5ccc(C(=O)O)cc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/C126H135N6O6.C124H133N8O6.C117H129N8O6.3Zn/c1-9-13-17-21-23-25-27-29-31-41-81-135-115-51-43-45-90(7)119(115)121-109-75-73-107(127-109)104(72-64-97-63-71-101(93-55-57-98(58-56-93)126(133)134)106-87-105(92-47-35-33-36-48-92)123(131-124(97)106)96-49-37-34-38-50-96)108-74-76-110(128-108)122(120-91(8)46-44-52-116(120)136-82-42-32-30-28-26-24-22-18-14-10-2)112-78-80-114(130-112)125(113-79-77-111(121)129-113)132(99-65-59-94(60-66-99)102-69-53-88(5)85-117(102)137-83-39-19-15-11-3)100-67-61-95(62-68-100)103-70-54-89(6)86-118(103)138-84-40-20-16-12-4;1-9-13-17-21-23-25-27-29-31-41-79-135-111-51-43-45-88(7)115(111)117-104-73-71-102(126-104)100(69-70-108-122-121(101(85-125-108)92-55-57-95(58-56-92)124(133)134)130-119(93-47-35-33-36-48-93)120(131-122)94-49-37-34-38-50-94)103-72-74-105(127-103)118(116-89(8)46-44-52-112(116)136-80-42-32-30-28-26-24-22-18-14-10-2)107-76-78-110(129-107)123(109-77-75-106(117)128-109)132(96-63-59-90(60-64-96)98-67-53-86(5)83-113(98)137-81-39-19-15-11-3)97-65-61-91(62-66-97)99-68-54-87(6)84-114(99)138-82-40-20-16-12-4;1-9-13-17-21-23-25-27-29-31-38-76-128-106-46-40-42-84(7)110(106)112-100-70-68-98(118-100)97(67-59-89-58-66-96(88-50-52-90(53-51-88)117(126)127)115-114(89)122-125(123-115)93-44-34-33-35-45-93)99-69-71-101(119-99)113(111-85(8)43-41-47-107(111)129-77-39-32-30-28-26-24-22-18-14-10-2)103-73-75-105(121-103)116(104-74-72-102(112)120-104)124(91-60-54-86(55-61-91)94-64-48-82(5)80-108(94)130-78-36-19-15-11-3)92-62-56-87(57-63-92)95-65-49-83(6)81-109(95)131-79-37-20-16-12-4;;;/h33-38,43-63,65-71,73-80,85-87H,9-32,39-42,81-84H2,1-8H3,(H2-,127,128,129,130,133,134);33-38,43-68,71-78,83-85H,9-32,39-42,79-82H2,1-8H3,(H2-,125,126,127,128,129,130,131,133,134);33-35,40-58,60-66,68-75,80-81H,9-32,36-39,76-79H2,1-8H3,(H2-,118,119,120,121,122,123,126,127);;;/q3*-1;3*+2/p-3/b107-104-,108-104-,121-109+,121-111+,122-110+,122-112+,125-113+,125-114+;102-100-,103-100-,117-104+,117-106+,118-105+,118-107+,123-109+,123-110+;98-97-,99-97-,112-100+,112-102+,113-101+,113-103+,116-104+,116-105+;;;
InChIKeyGVMHRULKCCSXJF-RZKRLKDPSA-K
XLogP98.98
TPSA476.59 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds140
Heavy Atoms410
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005597.50
LogP ≤ 598.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid with MolForge

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Related Compounds

11-(4-Dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole
CID 118595447
4-[4-[5-[4-[3-Methyl-4-[2-[6-(4-pyridin-3-yltriazol-1-yl)hexoxy]phenyl]phenyl]-2-[6-(4-pyridin-3-yltriazol-1-yl)hexoxy]phenyl]-2-pyridinyl]-2-[6-(4-pyridin-3-yltriazol-1-yl)hexoxy]phenyl]benzoic acid
CID 123456451
3-[3-(3-Carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(2-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(4-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 157086781
10-(4-Dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 157425912
9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;6-[9-[4-(2-methylbutyl)phenyl]carbazol-3-yl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;bis(5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole);6-(9-phenylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;platinum(2+)
CID 157482729
trizinc;4-[10-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]anthracen-9-yl]benzoic acid;4-[10-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylbenzo[g]quinoxalin-5-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinoxalin-5-yl]benzoic acid
CID 157506227
3-(4-Dibenzofuran-2-ylphenyl)benzo[c][1,10]phenanthroline;3-(4-dibenzofuran-4-ylphenyl)benzo[c][1,10]phenanthroline;11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline;11-(4-dibenzofuran-4-ylphenyl)benzo[f][1,10]phenanthroline;4-(4-dibenzofuran-2-ylphenyl)-3,22-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;4-(4-dibenzofuran-4-ylphenyl)-3,22-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;11-[2-(4-dibenzofuran-2-ylphenyl)ethynyl]benzo[f][1,10]phenanthroline;11-[2-(4-dibenzofuran-4-ylphenyl)ethynyl]benzo[f][1,10]phenanthroline
CID 157509349
2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,5-dimethyl-2,3-dihydro-1H-indene;2,6-dimethyl-2,3-dihydroinden-1-one;bis(2,6-dimethylquinoline);2,6-dimethylquinoxaline;5-methyl-3-propyloxolan-2-one
CID 157579998
5-(4-Dibenzofuran-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline;6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-1-ylnaphthalen-1-yl)-5-naphthalen-2-yl-1,6-naphthyridine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-phenylquinoxaline
CID 157596773
7-(4-Dibenzofuran-4-ylphenyl)indolo[2,3-c]quinoline;7-(3-naphthalen-1-ylphenyl)indolo[2,3-c]quinoline;11-(4-phenanthren-9-ylphenyl)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 157871414
3-dibenzofuran-3-yl-N,N-diphenyl-5-(9-pyridin-4-ylcarbazol-2-yl)aniline;N-[3-dibenzofuran-3-yl-5-(9-pyridin-3-ylcarbazol-2-yl)phenyl]-N-phenylnaphthalen-2-amine;N-[3-dibenzofuran-3-yl-5-(9-pyridin-4-ylcarbazol-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 157876436
2-acetyloxybenzoic acid;azanide;bis([(1S,2S)-2-azanidylcyclohexyl]azanide);dichloroplatinum;dichloroplatinum(2+);5,6-dimethyl-1,10-phenanthroline;methanidyl 4-phenylbutanoate;tris(octanoic acid);oxalic acid;tris(4-phenylbutanoic acid);bis(platinum(2+))
CID 157919141

Frequently Asked Questions

What is the IUPAC name of trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid?
The IUPAC name of trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid (CID 158378408) is trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid.
What is the SMILES notation for trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid?
The canonical SMILES for trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid is CCCCCCCCCCCCOc1cccc(C)c1-c1c2nc(c(N(c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc([n-]3)c(-c3c(C)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ccc(-c5ccc(C(=O)O)cc5)c5cc(-c6ccccc6)c(-c6ccccc6)nc45)c4ccc1[n-]4)C=C3)C=C2.CCCCCCCCCCCCOc1cccc(C)c1-c1c2nc(c(N(c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc([n-]3)c(-c3c(C)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ccc(-c5ccc(C(=O)O)cc5)c5nn(-c6ccccc6)nc45)c4ccc1[n-]4)C=C3)C=C2.CCCCCCCCCCCCOc1cccc(C)c1-c1c2nc(c(N(c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc(-c4ccc(C)cc4OCCCCCC)cc3)c3ccc([n-]3)c(-c3c(C)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ncc(-c5ccc(C(=O)O)cc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid?
The InChIKey is GVMHRULKCCSXJF-RZKRLKDPSA-K. The full InChI is InChI=1S/C126H135N6O6.C124H133N8O6.C117H129N8O6.3Zn/c1-9-13-17-21-23-25-27-29-31-41-81-135-115-51-43-45-90(7)119(115)121-109-75-73-107(127-109)104(72-64-97-63-71-101(93-55-57-98(58-56-93)126(133)134)106-87-105(92-47-35-33-36-48-92)123(131-124(97)106)96-49-37-34-38-50-96)108-74-76-110(128-108)122(120-91(8)46-44-52-116(120)136-82-42-32-30-28-26-24-22-18-14-10-2)112-78-80-114(130-112)125(113-79-77-111(121)129-113)132(99-65-59-94(60-66-99)102-69-53-88(5)85-117(102)137-83-39-19-15-11-3)100-67-61-95(62-68-100)103-70-54-89(6)86-118(103)138-84-40-20-16-12-4;1-9-13-17-21-23-25-27-29-31-41-79-135-111-51-43-45-88(7)115(111)117-104-73-71-102(126-104)100(69-70-108-122-121(101(85-125-108)92-55-57-95(58-56-92)124(133)134)130-119(93-47-35-33-36-48-93)120(131-122)94-49-37-34-38-50-94)103-72-74-105(127-103)118(116-89(8)46-44-52-112(116)136-80-42-32-30-28-26-24-22-18-14-10-2)107-76-78-110(129-107)123(109-77-75-106(117)128-109)132(96-63-59-90(60-64-96)98-67-53-86(5)83-113(98)137-81-39-19-15-11-3)97-65-61-91(62-66-97)99-68-54-87(6)84-114(99)138-82-40-20-16-12-4;1-9-13-17-21-23-25-27-29-31-38-76-128-106-46-40-42-84(7)110(106)112-100-70-68-98(118-100)97(67-59-89-58-66-96(88-50-52-90(53-51-88)117(126)127)115-114(89)122-125(123-115)93-44-34-33-35-45-93)99-69-71-101(119-99)113(111-85(8)43-41-47-107(111)129-77-39-32-30-28-26-24-22-18-14-10-2)103-73-75-105(121-103)116(104-74-72-102(112)120-104)124(91-60-54-86(55-61-91)94-64-48-82(5)80-108(94)130-78-36-19-15-11-3)92-62-56-87(57-63-92)95-65-49-83(6)81-109(95)131-79-37-20-16-12-4;;;/h33-38,43-63,65-71,73-80,85-87H,9-32,39-42,81-84H2,1-8H3,(H2-,127,128,129,130,133,134);33-38,43-68,71-78,83-85H,9-32,39-42,79-82H2,1-8H3,(H2-,125,126,127,128,129,130,131,133,134);33-35,40-58,60-66,68-75,80-81H,9-32,36-39,76-79H2,1-8H3,(H2-,118,119,120,121,122,123,126,127);;;/q3*-1;3*+2/p-3/b107-104-,108-104-,121-109+,121-111+,122-110+,122-112+,125-113+,125-114+;102-100-,103-100-,117-104+,117-106+,118-105+,118-107+,123-109+,123-110+;98-97-,99-97-,112-100+,112-102+,113-101+,113-103+,116-104+,116-105+;;;.
What are the key properties of trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid?
trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid has a molecular weight of 5597.50 g/mol, XLogP of 98.98, 140 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;4-[5-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]benzoic acid;4-[8-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2,3-diphenylquinolin-5-yl]benzoic acid;4-[7-[2-[10,20-bis(2-dodecoxy-6-methylphenyl)-15-[4-(2-hexoxy-4-methylphenyl)-N-[4-(2-hexoxy-4-methylphenyl)phenyl]anilino]porphyrin-22,24-diid-5-yl]ethynyl]-2-phenylbenzotriazol-4-yl]benzoic acid is sourced from PubChem (CID 158378408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).