5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin

C140H134N8O4 — CID 132506460

IUPAC5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin
SMILESCC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C(C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccc(OCCCCOc6ccc7ccccc7c6-c6c(OCCCCOc7ccc(-c8c9nc(c(-c%10ccc(C(C)(C)C)cc%10)c%10ccc([nH]%10)c(-c%10ccc(C(C)(C)C)cc%10)c%10nc(c(-c%11ccc(C(C)(C)C)cc%11)c%11ccc8[nH]%11)C=C%10)C=C9)cc7)ccc7ccccc67)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C140H134N8O4/c1-135(2,3)97-49-31-89(32-50-97)125-107-65-69-111(141-107)127(91-35-53-99(54-36-91)137(7,8)9)115-73-77-119(145-115)131(120-78-74-116(146-120)128(112-70-66-108(125)142-112)92-37-55-100(56-38-92)138(10,11)12)95-43-61-103(62-44-95)149-83-23-25-85-151-123-81-47-87-27-19-21-29-105(87)133(123)134-106-30-22-20-28-88(106)48-82-124(134)152-86-26-24-84-150-104-63-45-96(46-64-104)132-121-79-75-117(147-121)129(93-39-57-101(58-40-93)139(13,14)15)113-71-67-109(143-113)126(90-33-51-98(52-34-90)136(4,5)6)110-68-72-114(144-110)130(118-76-80-122(132)148-118)94-41-59-102(60-42-94)140(16,17)18/h19-22,27-82,141,143,146,148H,23-26,83-86H2,1-18H3/b125-107-,125-108-,126-109-,126-110-,127-111-,127-115-,128-112-,128-116-,129-113-,129-117-,130-114-,130-118-,131-119-,131-120-,132-121-,132-122-
InChIKeyFTJVFYPRVYKPNQ-IPMCMHJESA-N
MW1992.66 g/mol
LogP37.19
Rot. Bonds23

About 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin

5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin (PubChem CID 132506460) has the molecular formula C140H134N8O4 and a molecular weight of 1992.66 g/mol. Its IUPAC name is 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin
PubChem CID132506460
Molecular FormulaC140H134N8O4
Molecular Weight1992.66 g/mol
Exact Mass1991.05
IUPAC Name5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin
SMILESCC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C(C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccc(OCCCCOc6ccc7ccccc7c6-c6c(OCCCCOc7ccc(-c8c9nc(c(-c%10ccc(C(C)(C)C)cc%10)c%10ccc([nH]%10)c(-c%10ccc(C(C)(C)C)cc%10)c%10nc(c(-c%11ccc(C(C)(C)C)cc%11)c%11ccc8[nH]%11)C=C%10)C=C9)cc7)ccc7ccccc67)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C140H134N8O4/c1-135(2,3)97-49-31-89(32-50-97)125-107-65-69-111(141-107)127(91-35-53-99(54-36-91)137(7,8)9)115-73-77-119(145-115)131(120-78-74-116(146-120)128(112-70-66-108(125)142-112)92-37-55-100(56-38-92)138(10,11)12)95-43-61-103(62-44-95)149-83-23-25-85-151-123-81-47-87-27-19-21-29-105(87)133(123)134-106-30-22-20-28-88(106)48-82-124(134)152-86-26-24-84-150-104-63-45-96(46-64-104)132-121-79-75-117(147-121)129(93-39-57-101(58-40-93)139(13,14)15)113-71-67-109(143-113)126(90-33-51-98(52-34-90)136(4,5)6)110-68-72-114(144-110)130(118-76-80-122(132)148-118)94-41-59-102(60-42-94)140(16,17)18/h19-22,27-82,141,143,146,148H,23-26,83-86H2,1-18H3/b125-107-,125-108-,126-109-,126-110-,127-111-,127-115-,128-112-,128-116-,129-113-,129-117-,130-114-,130-118-,131-119-,131-120-,132-121-,132-122-
InChIKeyFTJVFYPRVYKPNQ-IPMCMHJESA-N
XLogP37.19
TPSA151.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001992.66
LogP ≤ 537.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin with MolForge

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Related Compounds

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
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
5-[4-[15-[4-(5-hydroxypentoxy)phenyl]-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]phenoxy]pentan-1-ol
CID 136753079
5,10,15-tris(4-tert-butylphenyl)-22,24-dihydro-21H-corrin
CID 74788342
trimethyl-[4-[4-[10,15,20-tris[4-[4-(trimethylazaniumyl)butoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butyl]azanium
CID 136707614
3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]propan-1-ol
CID 136693994
5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin
CID 101494518
5,10,15-triphenyl-20-(4-undec-10-enoxyphenyl)-21,23-dihydroporphyrin
CID 136883755
5,15-bis(4-octadecoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 136754426
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
4-[10,15,20-tris(4-octadecoxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 136916252

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin (CID 132506460) is 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin is CC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C(C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccc(OCCCCOc6ccc7ccccc7c6-c6c(OCCCCOc7ccc(-c8c9nc(c(-c%10ccc(C(C)(C)C)cc%10)c%10ccc([nH]%10)c(-c%10ccc(C(C)(C)C)cc%10)c%10nc(c(-c%11ccc(C(C)(C)C)cc%11)c%11ccc8[nH]%11)C=C%10)C=C9)cc7)ccc7ccccc67)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin?
The InChIKey is FTJVFYPRVYKPNQ-IPMCMHJESA-N. The full InChI is InChI=1S/C140H134N8O4/c1-135(2,3)97-49-31-89(32-50-97)125-107-65-69-111(141-107)127(91-35-53-99(54-36-91)137(7,8)9)115-73-77-119(145-115)131(120-78-74-116(146-120)128(112-70-66-108(125)142-112)92-37-55-100(56-38-92)138(10,11)12)95-43-61-103(62-44-95)149-83-23-25-85-151-123-81-47-87-27-19-21-29-105(87)133(123)134-106-30-22-20-28-88(106)48-82-124(134)152-86-26-24-84-150-104-63-45-96(46-64-104)132-121-79-75-117(147-121)129(93-39-57-101(58-40-93)139(13,14)15)113-71-67-109(143-113)126(90-33-51-98(52-34-90)136(4,5)6)110-68-72-114(144-110)130(118-76-80-122(132)148-118)94-41-59-102(60-42-94)140(16,17)18/h19-22,27-82,141,143,146,148H,23-26,83-86H2,1-18H3/b125-107-,125-108-,126-109-,126-110-,127-111-,127-115-,128-112-,128-116-,129-113-,129-117-,130-114-,130-118-,131-119-,131-120-,132-121-,132-122-.
What are the key properties of 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin?
5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin has a molecular weight of 1992.66 g/mol, XLogP of 37.19, 23 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 132506460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).