9,10,11,23,24,25,37,38,39-nonakis-decoxy-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

C135H207N3O9 — CID 11094517

IUPAC9,10,11,23,24,25,37,38,39-nonakis-decoxy-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
SMILESCCCCCCCCCCOc1cc2cc3ccc4ccc5c(n4)c(ccc4ccc6c(n4)c(ccc4ccc(c3n4)c2c(OCCCCCCCCCC)c1OCCCCCCCCCC)cc1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)c(OCCCCCCCCCC)c16)cc1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)c(OCCCCCCCCCC)c15
InChIInChI=1S/C135H207N3O9/c1-10-19-28-37-46-55-64-73-94-139-121-106-112-103-109-82-85-115-89-92-119-125-114(108-123(141-96-75-66-57-48-39-30-21-12-3)131(143-98-77-68-59-50-41-32-23-14-5)134(125)146-101-80-71-62-53-44-35-26-17-8)105-111(128(119)137-115)84-87-117-90-93-120-126-113(107-122(140-95-74-65-56-47-38-29-20-11-2)132(144-99-78-69-60-51-42-33-24-15-6)135(126)147-102-81-72-63-54-45-36-27-18-9)104-110(129(120)138-117)83-86-116-88-91-118(127(109)136-116)124(112)133(145-100-79-70-61-52-43-34-25-16-7)130(121)142-97-76-67-58-49-40-31-22-13-4/h82-93,103-108H,10-81,94-102H2,1-9H3/b85-82-,86-83+,87-84+,109-82-,110-83+,111-84+,115-85-,116-86-,117-87-
InChIKeySNOSTBIUNIVSGK-QLFOIDHQSA-N
MW2016.15 g/mol
LogP43.61
Rot. Bonds90

About 9,10,11,23,24,25,37,38,39-nonakis-decoxy-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-nonakis-decoxy-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 11094517) has the molecular formula C135H207N3O9 and a molecular weight of 2016.15 g/mol. Its IUPAC name is 9,10,11,23,24,25,37,38,39-nonakis-decoxy-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-nonakis-decoxy-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 CID11094517
Molecular FormulaC135H207N3O9
Molecular Weight2016.15 g/mol
Exact Mass2014.58
IUPAC Name9,10,11,23,24,25,37,38,39-nonakis-decoxy-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
SMILESCCCCCCCCCCOc1cc2cc3ccc4ccc5c(n4)c(ccc4ccc6c(n4)c(ccc4ccc(c3n4)c2c(OCCCCCCCCCC)c1OCCCCCCCCCC)cc1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)c(OCCCCCCCCCC)c16)cc1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)c(OCCCCCCCCCC)c15
InChIInChI=1S/C135H207N3O9/c1-10-19-28-37-46-55-64-73-94-139-121-106-112-103-109-82-85-115-89-92-119-125-114(108-123(141-96-75-66-57-48-39-30-21-12-3)131(143-98-77-68-59-50-41-32-23-14-5)134(125)146-101-80-71-62-53-44-35-26-17-8)105-111(128(119)137-115)84-87-117-90-93-120-126-113(107-122(140-95-74-65-56-47-38-29-20-11-2)132(144-99-78-69-60-51-42-33-24-15-6)135(126)147-102-81-72-63-54-45-36-27-18-9)104-110(129(120)138-117)83-86-116-88-91-118(127(109)136-116)124(112)133(145-100-79-70-61-52-43-34-25-16-7)130(121)142-97-76-67-58-49-40-31-22-13-4/h82-93,103-108H,10-81,94-102H2,1-9H3/b85-82-,86-83+,87-84+,109-82-,110-83+,111-84+,115-85-,116-86-,117-87-
InChIKeySNOSTBIUNIVSGK-QLFOIDHQSA-N
XLogP43.61
TPSA121.74 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds90
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.15
LogP ≤ 543.61
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-nonakis-decoxy-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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Frequently Asked Questions

What is the IUPAC name of 9,10,11,23,24,25,37,38,39-nonakis-decoxy-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-nonakis-decoxy-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 11094517) is 9,10,11,23,24,25,37,38,39-nonakis-decoxy-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-nonakis-decoxy-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-nonakis-decoxy-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 CCCCCCCCCCOc1cc2cc3ccc4ccc5c(n4)c(ccc4ccc6c(n4)c(ccc4ccc(c3n4)c2c(OCCCCCCCCCC)c1OCCCCCCCCCC)cc1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)c(OCCCCCCCCCC)c16)cc1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)c(OCCCCCCCCCC)c15.
What is the InChIKey of 9,10,11,23,24,25,37,38,39-nonakis-decoxy-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 SNOSTBIUNIVSGK-QLFOIDHQSA-N. The full InChI is InChI=1S/C135H207N3O9/c1-10-19-28-37-46-55-64-73-94-139-121-106-112-103-109-82-85-115-89-92-119-125-114(108-123(141-96-75-66-57-48-39-30-21-12-3)131(143-98-77-68-59-50-41-32-23-14-5)134(125)146-101-80-71-62-53-44-35-26-17-8)105-111(128(119)137-115)84-87-117-90-93-120-126-113(107-122(140-95-74-65-56-47-38-29-20-11-2)132(144-99-78-69-60-51-42-33-24-15-6)135(126)147-102-81-72-63-54-45-36-27-18-9)104-110(129(120)138-117)83-86-116-88-91-118(127(109)136-116)124(112)133(145-100-79-70-61-52-43-34-25-16-7)130(121)142-97-76-67-58-49-40-31-22-13-4/h82-93,103-108H,10-81,94-102H2,1-9H3/b85-82-,86-83+,87-84+,109-82-,110-83+,111-84+,115-85-,116-86-,117-87-.
What are the key properties of 9,10,11,23,24,25,37,38,39-nonakis-decoxy-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-nonakis-decoxy-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 2016.15 g/mol, XLogP of 43.61, 90 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-nonakis-decoxy-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 11094517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).