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

C177H164N16O2 — CID 101228765

IUPAC5-(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
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5nc(c(-c6c7nc(c(-c8cccc(OCCCCCOc9cccc(-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/C177H164N16O2/c1-170(2,3)114-88-110(89-115(98-114)171(4,5)6)162-140-70-64-130(184-140)156(104-42-30-25-31-43-104)128-58-54-122(178-128)102-124-56-60-148(180-124)166(150-82-76-144(162)190-150)168-152-80-74-138(188-152)160(136-68-62-132(182-136)158(106-46-34-27-35-47-106)134-66-72-142(186-134)164(146-78-84-154(168)192-146)112-92-118(174(13,14)15)100-119(93-112)175(16,17)18)108-50-40-52-126(96-108)194-86-38-29-39-87-195-127-53-41-51-109(97-127)161-137-69-63-133(183-137)159(107-48-36-28-37-49-107)135-67-73-143(187-135)165(113-94-120(176(19,20)21)101-121(95-113)177(22,23)24)147-79-85-155(193-147)169(153-81-75-139(161)189-153)167-149-61-57-125(181-149)103-123-55-59-129(179-123)157(105-44-32-26-33-45-105)131-65-71-141(185-131)163(145-77-83-151(167)191-145)111-90-116(172(7,8)9)99-117(91-111)173(10,11)12/h25-28,30-37,40-85,88-103,178-179,182-183,190-193H,29,38-39,86-87H2,1-24H3/b122-102-,123-103-,124-102-,125-103-,156-128-,156-130-,157-129-,157-131-,158-132-,158-134-,159-133-,159-135-,160-136-,160-138-,161-137-,161-139-,162-140-,162-144-,163-141-,163-145-,164-142-,164-146-,165-143-,165-147-,166-148+,166-150+,167-149+,167-151+,168-152+,168-154+,169-153+,169-155+
InChIKeyUNBUTKVLTFBVSS-OPXVHYMWSA-N
MW2547.37 g/mol
LogP46.57
Rot. Bonds20

About 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

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 (PubChem CID 101228765) has the molecular formula C177H164N16O2 and a molecular weight of 2547.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID101228765
Molecular FormulaC177H164N16O2
Molecular Weight2547.37 g/mol
Exact Mass2545.32
IUPAC Name5-(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
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5nc(c(-c6c7nc(c(-c8cccc(OCCCCCOc9cccc(-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/C177H164N16O2/c1-170(2,3)114-88-110(89-115(98-114)171(4,5)6)162-140-70-64-130(184-140)156(104-42-30-25-31-43-104)128-58-54-122(178-128)102-124-56-60-148(180-124)166(150-82-76-144(162)190-150)168-152-80-74-138(188-152)160(136-68-62-132(182-136)158(106-46-34-27-35-47-106)134-66-72-142(186-134)164(146-78-84-154(168)192-146)112-92-118(174(13,14)15)100-119(93-112)175(16,17)18)108-50-40-52-126(96-108)194-86-38-29-39-87-195-127-53-41-51-109(97-127)161-137-69-63-133(183-137)159(107-48-36-28-37-49-107)135-67-73-143(187-135)165(113-94-120(176(19,20)21)101-121(95-113)177(22,23)24)147-79-85-155(193-147)169(153-81-75-139(161)189-153)167-149-61-57-125(181-149)103-123-55-59-129(179-123)157(105-44-32-26-33-45-105)131-65-71-141(185-131)163(145-77-83-151(167)191-145)111-90-116(172(7,8)9)99-117(91-111)173(10,11)12/h25-28,30-37,40-85,88-103,178-179,182-183,190-193H,29,38-39,86-87H2,1-24H3/b122-102-,123-103-,124-102-,125-103-,156-128-,156-130-,157-129-,157-131-,158-132-,158-134-,159-133-,159-135-,160-136-,160-138-,161-137-,161-139-,162-140-,162-144-,163-141-,163-145-,164-142-,164-146-,165-143-,165-147-,166-148+,166-150+,167-149+,167-151+,168-152+,168-154+,169-153+,169-155+
InChIKeyUNBUTKVLTFBVSS-OPXVHYMWSA-N
XLogP46.57
TPSA247.90 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002547.37
LogP ≤ 546.57
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-[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 with MolForge

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Related Compounds

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
5-(4-dodecoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 141095014
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
10-(2-butyl-1H-indol-3-yl)-5,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
CID 136851338
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
CID 136760152
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
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-[2-[10,20-bis(3-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]ethynyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 71747612
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
trimethyl-[2-[4-[15-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium
CID 135466414
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5nc(c(-c6c7nc(c(-c8cccc(OCCCCCOc9cccc(-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-[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?
The InChIKey is UNBUTKVLTFBVSS-OPXVHYMWSA-N. The full InChI is InChI=1S/C177H164N16O2/c1-170(2,3)114-88-110(89-115(98-114)171(4,5)6)162-140-70-64-130(184-140)156(104-42-30-25-31-43-104)128-58-54-122(178-128)102-124-56-60-148(180-124)166(150-82-76-144(162)190-150)168-152-80-74-138(188-152)160(136-68-62-132(182-136)158(106-46-34-27-35-47-106)134-66-72-142(186-134)164(146-78-84-154(168)192-146)112-92-118(174(13,14)15)100-119(93-112)175(16,17)18)108-50-40-52-126(96-108)194-86-38-29-39-87-195-127-53-41-51-109(97-127)161-137-69-63-133(183-137)159(107-48-36-28-37-49-107)135-67-73-143(187-135)165(113-94-120(176(19,20)21)101-121(95-113)177(22,23)24)147-79-85-155(193-147)169(153-81-75-139(161)189-153)167-149-61-57-125(181-149)103-123-55-59-129(179-123)157(105-44-32-26-33-45-105)131-65-71-141(185-131)163(145-77-83-151(167)191-145)111-90-116(172(7,8)9)99-117(91-111)173(10,11)12/h25-28,30-37,40-85,88-103,178-179,182-183,190-193H,29,38-39,86-87H2,1-24H3/b122-102-,123-103-,124-102-,125-103-,156-128-,156-130-,157-129-,157-131-,158-132-,158-134-,159-133-,159-135-,160-136-,160-138-,161-137-,161-139-,162-140-,162-144-,163-141-,163-145-,164-142-,164-146-,165-143-,165-147-,166-148+,166-150+,167-149+,167-151+,168-152+,168-154+,169-153+,169-155+.
What are the key properties of 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?
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 has a molecular weight of 2547.37 g/mol, XLogP of 46.57, 20 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-[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 is sourced from PubChem (CID 101228765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).