9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene

C153H243N3O9 — CID 11126165

IUPAC9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene
SMILESCCCCCCCCCCCCOc1cc2cc3ccc4ccc5c(n4)c(ccc4ccc6c(n4)c(ccc4ccc(c3n4)c2c(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC)cc1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c16)cc1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c15
InChIInChI=1S/C153H243N3O9/c1-10-19-28-37-46-55-64-73-82-91-112-157-139-124-130-121-127-100-103-133-107-110-137-143-132(126-141(159-114-93-84-75-66-57-48-39-30-21-12-3)149(161-116-95-86-77-68-59-50-41-32-23-14-5)152(143)164-119-98-89-80-71-62-53-44-35-26-17-8)123-129(146(137)155-133)102-105-135-108-111-138-144-131(125-140(158-113-92-83-74-65-56-47-38-29-20-11-2)150(162-117-96-87-78-69-60-51-42-33-24-15-6)153(144)165-120-99-90-81-72-63-54-45-36-27-18-9)122-128(147(138)156-135)101-104-134-106-109-136(145(127)154-134)142(130)151(163-118-97-88-79-70-61-52-43-34-25-16-7)148(139)160-115-94-85-76-67-58-49-40-31-22-13-4/h100-111,121-126H,10-99,112-120H2,1-9H3/b103-100-,104-101+,105-102+,127-100-,128-101+,129-102+,133-103+,134-104-,135-105-
InChIKeyTUYNSWKVEVWKHQ-ISEXMXCASA-N
MW2268.64 g/mol
LogP50.63
Rot. Bonds108

About 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene

9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene (PubChem CID 11126165) has the molecular formula C153H243N3O9 and a molecular weight of 2268.64 g/mol. Its IUPAC name is 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene.

Molecular Properties

Compound Name9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene
PubChem CID11126165
Molecular FormulaC153H243N3O9
Molecular Weight2268.64 g/mol
Exact Mass2266.86
IUPAC Name9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene
SMILESCCCCCCCCCCCCOc1cc2cc3ccc4ccc5c(n4)c(ccc4ccc6c(n4)c(ccc4ccc(c3n4)c2c(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC)cc1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c16)cc1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c15
InChIInChI=1S/C153H243N3O9/c1-10-19-28-37-46-55-64-73-82-91-112-157-139-124-130-121-127-100-103-133-107-110-137-143-132(126-141(159-114-93-84-75-66-57-48-39-30-21-12-3)149(161-116-95-86-77-68-59-50-41-32-23-14-5)152(143)164-119-98-89-80-71-62-53-44-35-26-17-8)123-129(146(137)155-133)102-105-135-108-111-138-144-131(125-140(158-113-92-83-74-65-56-47-38-29-20-11-2)150(162-117-96-87-78-69-60-51-42-33-24-15-6)153(144)165-120-99-90-81-72-63-54-45-36-27-18-9)122-128(147(138)156-135)101-104-134-106-109-136(145(127)154-134)142(130)151(163-118-97-88-79-70-61-52-43-34-25-16-7)148(139)160-115-94-85-76-67-58-49-40-31-22-13-4/h100-111,121-126H,10-99,112-120H2,1-9H3/b103-100-,104-101+,105-102+,127-100-,128-101+,129-102+,133-103+,134-104-,135-105-
InChIKeyTUYNSWKVEVWKHQ-ISEXMXCASA-N
XLogP50.63
TPSA121.74 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds108
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002268.64
LogP ≤ 550.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene with MolForge

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Related Compounds

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2-(3,4,5-Trimethoxyphenyl)-13-oxa-15-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16(21)-octaen-22-amine
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CID 11575006
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CID 66573531
6-[[2,4-dimethoxy-3-[(4,6,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]phenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
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11,13-Dimethoxy-7,7-dimethyl-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,3,5,9,11,13,15,17,19,21-decaene
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CID 71450676

Frequently Asked Questions

What is the IUPAC name of 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene?
The IUPAC name of 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene (CID 11126165) is 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene.
What is the SMILES notation for 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene?
The canonical SMILES for 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene is CCCCCCCCCCCCOc1cc2cc3ccc4ccc5c(n4)c(ccc4ccc6c(n4)c(ccc4ccc(c3n4)c2c(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC)cc1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c16)cc1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c15.
What is the InChIKey of 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene?
The InChIKey is TUYNSWKVEVWKHQ-ISEXMXCASA-N. The full InChI is InChI=1S/C153H243N3O9/c1-10-19-28-37-46-55-64-73-82-91-112-157-139-124-130-121-127-100-103-133-107-110-137-143-132(126-141(159-114-93-84-75-66-57-48-39-30-21-12-3)149(161-116-95-86-77-68-59-50-41-32-23-14-5)152(143)164-119-98-89-80-71-62-53-44-35-26-17-8)123-129(146(137)155-133)102-105-135-108-111-138-144-131(125-140(158-113-92-83-74-65-56-47-38-29-20-11-2)150(162-117-96-87-78-69-60-51-42-33-24-15-6)153(144)165-120-99-90-81-72-63-54-45-36-27-18-9)122-128(147(138)156-135)101-104-134-106-109-136(145(127)154-134)142(130)151(163-118-97-88-79-70-61-52-43-34-25-16-7)148(139)160-115-94-85-76-67-58-49-40-31-22-13-4/h100-111,121-126H,10-99,112-120H2,1-9H3/b103-100-,104-101+,105-102+,127-100-,128-101+,129-102+,133-103+,134-104-,135-105-.
What are the key properties of 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene?
9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene has a molecular weight of 2268.64 g/mol, XLogP of 50.63, 108 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,11,23,24,25,37,38,39-nonadodecoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene is sourced from PubChem (CID 11126165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).