1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium

C134H166N2O18+2 — CID 53348566

IUPAC1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium
SMILESCC(C)c1ccc(C(c2ccc(OCCOCCOCCOCCOc3cccc4c(OCCOCCOCCOCC[n+]5ccc(-c6cc[n+](CCOCCOCCOCCOc7cccc8c(OCCOCCOCCOCCOc9ccc(C(c%10ccc(C(C)C)cc%10)(c%10ccc(C(C)(C)C)cc%10)c%10ccc(C(C)(C)C)cc%10)cc9)cccc78)cc6)cc5)cccc34)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C134H166N2O18/c1-101(2)103-29-33-111(34-30-103)133(113-45-37-107(38-46-113)129(5,6)7,114-47-39-108(40-48-114)130(8,9)10)117-53-57-119(58-54-117)149-95-89-143-83-77-141-81-87-147-93-99-153-127-27-19-21-121-123(127)23-17-25-125(121)151-97-91-145-85-79-139-75-73-137-71-69-135-65-61-105(62-66-135)106-63-67-136(68-64-106)70-72-138-74-76-140-80-86-146-92-98-152-126-26-18-24-124-122(126)22-20-28-128(124)154-100-94-148-88-82-142-78-84-144-90-96-150-120-59-55-118(56-60-120)134(112-35-31-104(32-36-112)102(3)4,115-49-41-109(42-50-115)131(11,12)13)116-51-43-110(44-52-116)132(14,15)16/h17-68,101-102H,69-100H2,1-16H3/q+2
InChIKeyOYDYFXZOSOJGQO-UHFFFAOYSA-N
MW2092.80 g/mol
LogP25.71
Rot. Bonds65

About 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium

1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium (PubChem CID 53348566) has the molecular formula C134H166N2O18+2 and a molecular weight of 2092.80 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium
PubChem CID53348566
Molecular FormulaC134H166N2O18+2
Molecular Weight2092.80 g/mol
Exact Mass2091.21
IUPAC Name1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium
SMILESCC(C)c1ccc(C(c2ccc(OCCOCCOCCOCCOc3cccc4c(OCCOCCOCCOCC[n+]5ccc(-c6cc[n+](CCOCCOCCOCCOc7cccc8c(OCCOCCOCCOCCOc9ccc(C(c%10ccc(C(C)C)cc%10)(c%10ccc(C(C)(C)C)cc%10)c%10ccc(C(C)(C)C)cc%10)cc9)cccc78)cc6)cc5)cccc34)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C134H166N2O18/c1-101(2)103-29-33-111(34-30-103)133(113-45-37-107(38-46-113)129(5,6)7,114-47-39-108(40-48-114)130(8,9)10)117-53-57-119(58-54-117)149-95-89-143-83-77-141-81-87-147-93-99-153-127-27-19-21-121-123(127)23-17-25-125(121)151-97-91-145-85-79-139-75-73-137-71-69-135-65-61-105(62-66-135)106-63-67-136(68-64-106)70-72-138-74-76-140-80-86-146-92-98-152-126-26-18-24-124-122(126)22-20-28-128(124)154-100-94-148-88-82-142-78-84-144-90-96-150-120-59-55-118(56-60-120)134(112-35-31-104(32-36-112)102(3)4,115-49-41-109(42-50-115)131(11,12)13)116-51-43-110(44-52-116)132(14,15)16/h17-68,101-102H,69-100H2,1-16H3/q+2
InChIKeyOYDYFXZOSOJGQO-UHFFFAOYSA-N
XLogP25.71
TPSA173.90 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds65
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002092.80
LogP ≤ 525.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium?
The IUPAC name of 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium (CID 53348566) is 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium.
What is the SMILES notation for 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium?
The canonical SMILES for 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium is CC(C)c1ccc(C(c2ccc(OCCOCCOCCOCCOc3cccc4c(OCCOCCOCCOCC[n+]5ccc(-c6cc[n+](CCOCCOCCOCCOc7cccc8c(OCCOCCOCCOCCOc9ccc(C(c%10ccc(C(C)C)cc%10)(c%10ccc(C(C)(C)C)cc%10)c%10ccc(C(C)(C)C)cc%10)cc9)cccc78)cc6)cc5)cccc34)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium?
The InChIKey is OYDYFXZOSOJGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H166N2O18/c1-101(2)103-29-33-111(34-30-103)133(113-45-37-107(38-46-113)129(5,6)7,114-47-39-108(40-48-114)130(8,9)10)117-53-57-119(58-54-117)149-95-89-143-83-77-141-81-87-147-93-99-153-127-27-19-21-121-123(127)23-17-25-125(121)151-97-91-145-85-79-139-75-73-137-71-69-135-65-61-105(62-66-135)106-63-67-136(68-64-106)70-72-138-74-76-140-80-86-146-92-98-152-126-26-18-24-124-122(126)22-20-28-128(124)154-100-94-148-88-82-142-78-84-144-90-96-150-120-59-55-118(56-60-120)134(112-35-31-104(32-36-112)102(3)4,115-49-41-109(42-50-115)131(11,12)13)116-51-43-110(44-52-116)132(14,15)16/h17-68,101-102H,69-100H2,1-16H3/q+2.
What are the key properties of 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium?
1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium has a molecular weight of 2092.80 g/mol, XLogP of 25.71, 65 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[1-[2-[2-[2-[2-[5-[2-[2-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium is sourced from PubChem (CID 53348566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).