4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide

C146H138N10O6 — CID 102152812

IUPAC4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(NC(=O)CCCOc5c6cc(C(C)(C)C)cc5Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5OCCCC(=O)Nc5ccc(-c7c8nc(c(-c9ccc(C)cc9)c9ccc([nH]9)c(-c9ccc(C)cc9)c9nc(c(-c%10ccc(C)cc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc5)Cc5cc(C(C)(C)C)cc(c5O)C6)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C146H138N10O6/c1-85-23-35-91(36-24-85)131-113-55-59-117(149-113)133(93-39-27-87(3)28-40-93)121-63-67-125(153-121)137(126-68-64-122(154-126)134(118-60-56-114(131)150-118)94-41-29-88(4)30-42-94)97-47-51-111(52-48-97)147-129(157)21-19-71-161-141-103-73-99-77-107(143(7,8)9)79-101(139(99)159)75-105-83-110(146(16,17)18)84-106(76-102-80-108(144(10,11)12)78-100(140(102)160)74-104(141)82-109(81-103)145(13,14)15)142(105)162-72-20-22-130(158)148-112-53-49-98(50-54-112)138-127-69-65-123(155-127)135(95-43-31-89(5)32-44-95)119-61-57-115(151-119)132(92-37-25-86(2)26-38-92)116-58-62-120(152-116)136(124-66-70-128(138)156-124)96-45-33-90(6)34-46-96/h23-70,77-84,149,151,154,156,159-160H,19-22,71-76H2,1-18H3,(H,147,157)(H,148,158)/b131-113-,131-114-,132-115-,132-116-,133-117-,133-121-,134-118-,134-122-,135-119-,135-123-,136-120-,136-124-,137-125-,137-126-,138-127-,138-128-
InChIKeyBEMPIMBHVGHQFR-SEJVGJROSA-N
MW2128.77 g/mol
LogP35.68
Rot. Bonds20

About 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide

4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide (PubChem CID 102152812) has the molecular formula C146H138N10O6 and a molecular weight of 2128.77 g/mol. Its IUPAC name is 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide.

Molecular Properties

Compound Name4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide
PubChem CID102152812
Molecular FormulaC146H138N10O6
Molecular Weight2128.77 g/mol
Exact Mass2127.08
IUPAC Name4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(NC(=O)CCCOc5c6cc(C(C)(C)C)cc5Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5OCCCC(=O)Nc5ccc(-c7c8nc(c(-c9ccc(C)cc9)c9ccc([nH]9)c(-c9ccc(C)cc9)c9nc(c(-c%10ccc(C)cc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc5)Cc5cc(C(C)(C)C)cc(c5O)C6)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C146H138N10O6/c1-85-23-35-91(36-24-85)131-113-55-59-117(149-113)133(93-39-27-87(3)28-40-93)121-63-67-125(153-121)137(126-68-64-122(154-126)134(118-60-56-114(131)150-118)94-41-29-88(4)30-42-94)97-47-51-111(52-48-97)147-129(157)21-19-71-161-141-103-73-99-77-107(143(7,8)9)79-101(139(99)159)75-105-83-110(146(16,17)18)84-106(76-102-80-108(144(10,11)12)78-100(140(102)160)74-104(141)82-109(81-103)145(13,14)15)142(105)162-72-20-22-130(158)148-112-53-49-98(50-54-112)138-127-69-65-123(155-127)135(95-43-31-89(5)32-44-95)119-61-57-115(151-119)132(92-37-25-86(2)26-38-92)116-58-62-120(152-116)136(124-66-70-128(138)156-124)96-45-33-90(6)34-46-96/h23-70,77-84,149,151,154,156,159-160H,19-22,71-76H2,1-18H3,(H,147,157)(H,148,158)/b131-113-,131-114-,132-115-,132-116-,133-117-,133-121-,134-118-,134-122-,135-119-,135-123-,136-120-,136-124-,137-125-,137-126-,138-127-,138-128-
InChIKeyBEMPIMBHVGHQFR-SEJVGJROSA-N
XLogP35.68
TPSA231.84 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002128.77
LogP ≤ 535.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide with MolForge

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Related Compounds

7-sulfanyl-N-[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]heptanamide
CID 136693201
N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide
CID 135978112
3-[[3-oxo-3-[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]propyl]disulfanyl]-N-[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]propanamide
CID 101029038
N-[4-[10,15,20-tris[4-(octanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]octanamide
CID 136810655
N-[4-[10,15,20-tris[4-(hexadecanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]hexadecanamide
CID 136826487
8-amino-N-[4-[10,15,20-tris[4-(8-aminooctanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]octanamide
CID 135542396
5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin
CID 100983831
4-chloro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]butanamide
CID 10887120
ethyl 2-[[5,11,17,23-tetratert-butyl-27-(2-ethoxy-2-oxoethoxy)-26,28-bis[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethoxy]-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetate
CID 101180420
tert-butyl N-[4-[10,20-bis(4-methylphenyl)-15-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]carbamate
CID 135476020
5-pyrazin-2-yl-N-[4-[10,15,20-tris[4-(5-pyrazin-2-ylpentanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]pentanamide
CID 101073407
tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate
CID 136832974

Frequently Asked Questions

What is the IUPAC name of 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide?
The IUPAC name of 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide (CID 102152812) is 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide.
What is the SMILES notation for 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide?
The canonical SMILES for 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(NC(=O)CCCOc5c6cc(C(C)(C)C)cc5Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5OCCCC(=O)Nc5ccc(-c7c8nc(c(-c9ccc(C)cc9)c9ccc([nH]9)c(-c9ccc(C)cc9)c9nc(c(-c%10ccc(C)cc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc5)Cc5cc(C(C)(C)C)cc(c5O)C6)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide?
The InChIKey is BEMPIMBHVGHQFR-SEJVGJROSA-N. The full InChI is InChI=1S/C146H138N10O6/c1-85-23-35-91(36-24-85)131-113-55-59-117(149-113)133(93-39-27-87(3)28-40-93)121-63-67-125(153-121)137(126-68-64-122(154-126)134(118-60-56-114(131)150-118)94-41-29-88(4)30-42-94)97-47-51-111(52-48-97)147-129(157)21-19-71-161-141-103-73-99-77-107(143(7,8)9)79-101(139(99)159)75-105-83-110(146(16,17)18)84-106(76-102-80-108(144(10,11)12)78-100(140(102)160)74-104(141)82-109(81-103)145(13,14)15)142(105)162-72-20-22-130(158)148-112-53-49-98(50-54-112)138-127-69-65-123(155-127)135(95-43-31-89(5)32-44-95)119-61-57-115(151-119)132(92-37-25-86(2)26-38-92)116-58-62-120(152-116)136(124-66-70-128(138)156-124)96-45-33-90(6)34-46-96/h23-70,77-84,149,151,154,156,159-160H,19-22,71-76H2,1-18H3,(H,147,157)(H,148,158)/b131-113-,131-114-,132-115-,132-116-,133-117-,133-121-,134-118-,134-122-,135-119-,135-123-,136-120-,136-124-,137-125-,137-126-,138-127-,138-128-.
What are the key properties of 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide?
4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide has a molecular weight of 2128.77 g/mol, XLogP of 35.68, 20 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide is sourced from PubChem (CID 102152812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).