[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene

C130H162N4O6 — CID 102112802

IUPAC[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene
SMILESCCCCCCCCCCCCCCCCCCOc1ccc2ccccc2c1-c1c(OCCCCCCCCCCCOc2ccc(/N=N/c3ccc4ccccc4c3-c3c(/N=N/c4ccc(OCCCCCCCCCCCOc5ccc6ccccc6c5-c5c(OCCCCCCCCCCCCCCCCCC)ccc6ccccc56)cc4)ccc4ccccc34)cc2)ccc2ccccc12
InChIInChI=1S/C130H162N4O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-43-61-99-137-121-93-79-105-67-49-55-73-115(105)127(121)129-117-75-57-51-69-107(117)81-95-123(129)139-101-63-45-39-33-27-31-35-41-59-97-135-111-87-83-109(84-88-111)131-133-119-91-77-103-65-47-53-71-113(103)125(119)126-114-72-54-48-66-104(114)78-92-120(126)134-132-110-85-89-112(90-86-110)136-98-60-42-36-32-28-34-40-46-64-102-140-124-96-82-108-70-52-58-76-118(108)130(124)128-116-74-56-50-68-106(116)80-94-122(128)138-100-62-44-38-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-58,65-96H,3-46,59-64,97-102H2,1-2H3/b133-131+,134-132+
InChIKeyPASXVDHSZCGZCN-FLXRPOOSSA-N
MW1876.75 g/mol
LogP41.66
Rot. Bonds71

About [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene

[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene (PubChem CID 102112802) has the molecular formula C130H162N4O6 and a molecular weight of 1876.75 g/mol. Its IUPAC name is [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene.

Molecular Properties

Compound Name[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene
PubChem CID102112802
Molecular FormulaC130H162N4O6
Molecular Weight1876.75 g/mol
Exact Mass1875.25
IUPAC Name[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene
SMILESCCCCCCCCCCCCCCCCCCOc1ccc2ccccc2c1-c1c(OCCCCCCCCCCCOc2ccc(/N=N/c3ccc4ccccc4c3-c3c(/N=N/c4ccc(OCCCCCCCCCCCOc5ccc6ccccc6c5-c5c(OCCCCCCCCCCCCCCCCCC)ccc6ccccc56)cc4)ccc4ccccc34)cc2)ccc2ccccc12
InChIInChI=1S/C130H162N4O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-43-61-99-137-121-93-79-105-67-49-55-73-115(105)127(121)129-117-75-57-51-69-107(117)81-95-123(129)139-101-63-45-39-33-27-31-35-41-59-97-135-111-87-83-109(84-88-111)131-133-119-91-77-103-65-47-53-71-113(103)125(119)126-114-72-54-48-66-104(114)78-92-120(126)134-132-110-85-89-112(90-86-110)136-98-60-42-36-32-28-34-40-46-64-102-140-124-96-82-108-70-52-58-76-118(108)130(124)128-116-74-56-50-68-106(116)80-94-122(128)138-100-62-44-38-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-58,65-96H,3-46,59-64,97-102H2,1-2H3/b133-131+,134-132+
InChIKeyPASXVDHSZCGZCN-FLXRPOOSSA-N
XLogP41.66
TPSA104.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds71
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001876.75
LogP ≤ 541.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene with MolForge

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Related Compounds

phenyl-(4-undecoxyphenyl)diazene
CID 162717560
bis(4-heptoxyphenyl)diazene
CID 13087198
(4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene
CID 58556728
[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl] 4-heptoxybenzoate
CID 132573524
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
[4-[[1-[2-[(4-hydroxyphenyl)diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazenyl]phenyl] decanoate
CID 150628097
1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
CID 58560218
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
CID 136836012
CID 136836012

Frequently Asked Questions

What is the IUPAC name of [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene?
The IUPAC name of [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene (CID 102112802) is [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene.
What is the SMILES notation for [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene?
The canonical SMILES for [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene is CCCCCCCCCCCCCCCCCCOc1ccc2ccccc2c1-c1c(OCCCCCCCCCCCOc2ccc(/N=N/c3ccc4ccccc4c3-c3c(/N=N/c4ccc(OCCCCCCCCCCCOc5ccc6ccccc6c5-c5c(OCCCCCCCCCCCCCCCCCC)ccc6ccccc56)cc4)ccc4ccccc34)cc2)ccc2ccccc12.
What is the InChIKey of [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene?
The InChIKey is PASXVDHSZCGZCN-FLXRPOOSSA-N. The full InChI is InChI=1S/C130H162N4O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-43-61-99-137-121-93-79-105-67-49-55-73-115(105)127(121)129-117-75-57-51-69-107(117)81-95-123(129)139-101-63-45-39-33-27-31-35-41-59-97-135-111-87-83-109(84-88-111)131-133-119-91-77-103-65-47-53-71-113(103)125(119)126-114-72-54-48-66-104(114)78-92-120(126)134-132-110-85-89-112(90-86-110)136-98-60-42-36-32-28-34-40-46-64-102-140-124-96-82-108-70-52-58-76-118(108)130(124)128-116-74-56-50-68-106(116)80-94-122(128)138-100-62-44-38-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-58,65-96H,3-46,59-64,97-102H2,1-2H3/b133-131+,134-132+.
What are the key properties of [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene?
[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene has a molecular weight of 1876.75 g/mol, XLogP of 41.66, 71 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene is sourced from PubChem (CID 102112802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).