5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin

C174H158N16O2 — CID 101228762

IUPAC5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5nc(c(-c6c7nc(c(-c8cccc(OCCOc9cccc(-c%10c%11nc(c(-c%12c%13nc(cc%14ccc([nH]%14)c(-c%14ccccc%14)c%14nc(c(-c%15cc(C(C)(C)C)cc(C(C)(C)C)c%15)c%15ccc%12[nH]%15)C=C%14)C=C%13)c%12ccc([nH]%12)c(-c%12cc(C(C)(C)C)cc(C(C)(C)C)c%12)c%12nc(c(-c%13ccccc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)c9)c8)c8ccc([nH]8)c(-c8ccccc8)c8nc(c(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)c6ccc2[nH]6)C=C5)[nH]4)C=C3)cc(C(C)(C)C)c1
InChIInChI=1S/C174H158N16O2/c1-167(2,3)111-85-107(86-112(95-111)168(4,5)6)159-137-67-61-127(181-137)153(101-39-29-25-30-40-101)125-55-51-119(175-125)99-121-53-57-145(177-121)163(147-79-73-141(159)187-147)165-149-77-71-135(185-149)157(133-65-59-129(179-133)155(103-43-33-27-34-44-103)131-63-69-139(183-131)161(143-75-81-151(165)189-143)109-89-115(171(13,14)15)97-116(90-109)172(16,17)18)105-47-37-49-123(93-105)191-83-84-192-124-50-38-48-106(94-124)158-134-66-60-130(180-134)156(104-45-35-28-36-46-104)132-64-70-140(184-132)162(110-91-117(173(19,20)21)98-118(92-110)174(22,23)24)144-76-82-152(190-144)166(150-78-72-136(158)186-150)164-146-58-54-122(178-146)100-120-52-56-126(176-120)154(102-41-31-26-32-42-102)128-62-68-138(182-128)160(142-74-80-148(164)188-142)108-87-113(169(7,8)9)96-114(88-108)170(10,11)12/h25-82,85-100,175-176,179-180,187-190H,83-84H2,1-24H3/b119-99-,120-100-,121-99-,122-100-,153-125-,153-127-,154-126-,154-128-,155-129-,155-131-,156-130-,156-132-,157-133-,157-135-,158-134-,158-136-,159-137-,159-141-,160-138-,160-142-,161-139-,161-143-,162-140-,162-144-,163-145+,163-147+,164-146+,164-148+,165-149+,165-151+,166-150+,166-152+
InChIKeyXXWSIDQZMXDIJU-ORUNXMRPSA-N
MW2505.29 g/mol
LogP45.40
Rot. Bonds17

About 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin

5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin (PubChem CID 101228762) has the molecular formula C174H158N16O2 and a molecular weight of 2505.29 g/mol. Its IUPAC name is 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin
PubChem CID101228762
Molecular FormulaC174H158N16O2
Molecular Weight2505.29 g/mol
Exact Mass2503.28
IUPAC Name5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5nc(c(-c6c7nc(c(-c8cccc(OCCOc9cccc(-c%10c%11nc(c(-c%12c%13nc(cc%14ccc([nH]%14)c(-c%14ccccc%14)c%14nc(c(-c%15cc(C(C)(C)C)cc(C(C)(C)C)c%15)c%15ccc%12[nH]%15)C=C%14)C=C%13)c%12ccc([nH]%12)c(-c%12cc(C(C)(C)C)cc(C(C)(C)C)c%12)c%12nc(c(-c%13ccccc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)c9)c8)c8ccc([nH]8)c(-c8ccccc8)c8nc(c(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)c6ccc2[nH]6)C=C5)[nH]4)C=C3)cc(C(C)(C)C)c1
InChIInChI=1S/C174H158N16O2/c1-167(2,3)111-85-107(86-112(95-111)168(4,5)6)159-137-67-61-127(181-137)153(101-39-29-25-30-40-101)125-55-51-119(175-125)99-121-53-57-145(177-121)163(147-79-73-141(159)187-147)165-149-77-71-135(185-149)157(133-65-59-129(179-133)155(103-43-33-27-34-44-103)131-63-69-139(183-131)161(143-75-81-151(165)189-143)109-89-115(171(13,14)15)97-116(90-109)172(16,17)18)105-47-37-49-123(93-105)191-83-84-192-124-50-38-48-106(94-124)158-134-66-60-130(180-134)156(104-45-35-28-36-46-104)132-64-70-140(184-132)162(110-91-117(173(19,20)21)98-118(92-110)174(22,23)24)144-76-82-152(190-144)166(150-78-72-136(158)186-150)164-146-58-54-122(178-146)100-120-52-56-126(176-120)154(102-41-31-26-32-42-102)128-62-68-138(182-128)160(142-74-80-148(164)188-142)108-87-113(169(7,8)9)96-114(88-108)170(10,11)12/h25-82,85-100,175-176,179-180,187-190H,83-84H2,1-24H3/b119-99-,120-100-,121-99-,122-100-,153-125-,153-127-,154-126-,154-128-,155-129-,155-131-,156-130-,156-132-,157-133-,157-135-,158-134-,158-136-,159-137-,159-141-,160-138-,160-142-,161-139-,161-143-,162-140-,162-144-,163-145+,163-147+,164-146+,164-148+,165-149+,165-151+,166-150+,166-152+
InChIKeyXXWSIDQZMXDIJU-ORUNXMRPSA-N
XLogP45.40
TPSA247.90 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002505.29
LogP ≤ 545.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin with MolForge

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Related Compounds

5-(3,5-ditert-butylphenyl)-15-[3-[5-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]pentoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin
CID 101228765
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
CID 101057335
5-(4-dodecoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 141095014
9,19-bis(3,5-ditert-butylphenyl)-3,4-diphenyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(22),2(6),3,5(26),7,9,11,13(25),14,16,18,20-dodecaene
CID 135605591
10-(2-butyl-1H-indol-3-yl)-5,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
CID 136851338
5-[2-[10,20-bis(3-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]ethynyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 71747612
trimethyl-[2-[4-[15-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium
CID 135466414
3-[3-[13-amino-12-[3-(3-hydroxypropoxy)phenyl]-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1(21),2,4,6,8(22),9,11,13,15,17,19-undecaen-2-yl]phenoxy]propan-1-ol;ethane
CID 142884867
5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin
CID 11642161
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
10,20-bis(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-amine
CID 136683333

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin?
The IUPAC name of 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin (CID 101228762) is 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin?
The canonical SMILES for 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin is CC(C)(C)c1cc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5nc(c(-c6c7nc(c(-c8cccc(OCCOc9cccc(-c%10c%11nc(c(-c%12c%13nc(cc%14ccc([nH]%14)c(-c%14ccccc%14)c%14nc(c(-c%15cc(C(C)(C)C)cc(C(C)(C)C)c%15)c%15ccc%12[nH]%15)C=C%14)C=C%13)c%12ccc([nH]%12)c(-c%12cc(C(C)(C)C)cc(C(C)(C)C)c%12)c%12nc(c(-c%13ccccc%13)c%13ccc%10[nH]%13)C=C%12)C=C%11)c9)c8)c8ccc([nH]8)c(-c8ccccc8)c8nc(c(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)c6ccc2[nH]6)C=C5)[nH]4)C=C3)cc(C(C)(C)C)c1.
What is the InChIKey of 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin?
The InChIKey is XXWSIDQZMXDIJU-ORUNXMRPSA-N. The full InChI is InChI=1S/C174H158N16O2/c1-167(2,3)111-85-107(86-112(95-111)168(4,5)6)159-137-67-61-127(181-137)153(101-39-29-25-30-40-101)125-55-51-119(175-125)99-121-53-57-145(177-121)163(147-79-73-141(159)187-147)165-149-77-71-135(185-149)157(133-65-59-129(179-133)155(103-43-33-27-34-44-103)131-63-69-139(183-131)161(143-75-81-151(165)189-143)109-89-115(171(13,14)15)97-116(90-109)172(16,17)18)105-47-37-49-123(93-105)191-83-84-192-124-50-38-48-106(94-124)158-134-66-60-130(180-134)156(104-45-35-28-36-46-104)132-64-70-140(184-132)162(110-91-117(173(19,20)21)98-118(92-110)174(22,23)24)144-76-82-152(190-144)166(150-78-72-136(158)186-150)164-146-58-54-122(178-146)100-120-52-56-126(176-120)154(102-41-31-26-32-42-102)128-62-68-138(182-128)160(142-74-80-148(164)188-142)108-87-113(169(7,8)9)96-114(88-108)170(10,11)12/h25-82,85-100,175-176,179-180,187-190H,83-84H2,1-24H3/b119-99-,120-100-,121-99-,122-100-,153-125-,153-127-,154-126-,154-128-,155-129-,155-131-,156-130-,156-132-,157-133-,157-135-,158-134-,158-136-,159-137-,159-141-,160-138-,160-142-,161-139-,161-143-,162-140-,162-144-,163-145+,163-147+,164-146+,164-148+,165-149+,165-151+,166-150+,166-152+.
What are the key properties of 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin?
5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin has a molecular weight of 2505.29 g/mol, XLogP of 45.40, 17 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 101228762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).