4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde

C120H190O12 — CID 101201557

IUPAC4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
SMILESCCCCCCCCOc1cc(/C=C/c2cc(OCCCCCCCC)c(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4cc(OCCCCCCCC)c(/C=C/c5cc(OCCCCCCCC)c(C=O)cc5OCCCCCCCC)cc4OCCCCCCCC)cc3OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)cc1C=O
InChIInChI=1S/C120H190O12/c1-11-21-31-41-51-61-79-123-111-89-102(72-74-104-92-116(128-84-66-56-46-36-26-16-6)106(94-114(104)126-82-64-54-44-34-24-14-4)76-78-108-96-120(132-88-70-60-50-40-30-20-10)110(100-122)98-118(108)130-86-68-58-48-38-28-18-8)112(124-80-62-52-42-32-22-12-2)90-101(111)71-73-103-91-115(127-83-65-55-45-35-25-15-5)105(93-113(103)125-81-63-53-43-33-23-13-3)75-77-107-95-119(131-87-69-59-49-39-29-19-9)109(99-121)97-117(107)129-85-67-57-47-37-27-17-7/h71-78,89-100H,11-70,79-88H2,1-10H3/b73-71+,74-72+,77-75+,78-76+
InChIKeyCKYFBSTZBHVZLC-JRWFWCPJSA-N
MW1824.83 g/mol
LogP37.39
Rot. Bonds90

About 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde

4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde (PubChem CID 101201557) has the molecular formula C120H190O12 and a molecular weight of 1824.83 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
PubChem CID101201557
Molecular FormulaC120H190O12
Molecular Weight1824.83 g/mol
Exact Mass1823.43
IUPAC Name4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
SMILESCCCCCCCCOc1cc(/C=C/c2cc(OCCCCCCCC)c(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4cc(OCCCCCCCC)c(/C=C/c5cc(OCCCCCCCC)c(C=O)cc5OCCCCCCCC)cc4OCCCCCCCC)cc3OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)cc1C=O
InChIInChI=1S/C120H190O12/c1-11-21-31-41-51-61-79-123-111-89-102(72-74-104-92-116(128-84-66-56-46-36-26-16-6)106(94-114(104)126-82-64-54-44-34-24-14-4)76-78-108-96-120(132-88-70-60-50-40-30-20-10)110(100-122)98-118(108)130-86-68-58-48-38-28-18-8)112(124-80-62-52-42-32-22-12-2)90-101(111)71-73-103-91-115(127-83-65-55-45-35-25-15-5)105(93-113(103)125-81-63-53-43-33-23-13-3)75-77-107-95-119(131-87-69-59-49-39-29-19-9)109(99-121)97-117(107)129-85-67-57-47-37-27-17-7/h71-78,89-100H,11-70,79-88H2,1-10H3/b73-71+,74-72+,77-75+,78-76+
InChIKeyCKYFBSTZBHVZLC-JRWFWCPJSA-N
XLogP37.39
TPSA126.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds90
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001824.83
LogP ≤ 537.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde with MolForge

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Related Compounds

4-[(E)-2-[4-[(E)-2-(4-formylphenyl)ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]benzaldehyde
CID 102237302
1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476
4-ethynyl-2,5-dioctoxybenzaldehyde
CID 71440726
(E)-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-carboxyethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,5-dihexadecoxyphenyl]prop-2-enoic acid
CID 102032929
4-[(E)-2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]-2,5-dipropoxybenzaldehyde
CID 101039108
1-[2-[4-[2-[4-[2-[2,5-dihexadecoxy-4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,3,4,5,6-pentafluorobenzene
CID 177389517
6-nonoxy-1,3-benzodioxole-5-carbaldehyde
CID 63529679
2-decoxy-5-nitrobenzaldehyde
CID 25058968
1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene
CID 177462913
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine
CID 177480609

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde (CID 101201557) is 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde is CCCCCCCCOc1cc(/C=C/c2cc(OCCCCCCCC)c(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4cc(OCCCCCCCC)c(/C=C/c5cc(OCCCCCCCC)c(C=O)cc5OCCCCCCCC)cc4OCCCCCCCC)cc3OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)cc1C=O.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde?
The InChIKey is CKYFBSTZBHVZLC-JRWFWCPJSA-N. The full InChI is InChI=1S/C120H190O12/c1-11-21-31-41-51-61-79-123-111-89-102(72-74-104-92-116(128-84-66-56-46-36-26-16-6)106(94-114(104)126-82-64-54-44-34-24-14-4)76-78-108-96-120(132-88-70-60-50-40-30-20-10)110(100-122)98-118(108)130-86-68-58-48-38-28-18-8)112(124-80-62-52-42-32-22-12-2)90-101(111)71-73-103-91-115(127-83-65-55-45-35-25-15-5)105(93-113(103)125-81-63-53-43-33-23-13-3)75-77-107-95-119(131-87-69-59-49-39-29-19-9)109(99-121)97-117(107)129-85-67-57-47-37-27-17-7/h71-78,89-100H,11-70,79-88H2,1-10H3/b73-71+,74-72+,77-75+,78-76+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde?
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde has a molecular weight of 1824.83 g/mol, XLogP of 37.39, 90 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde is sourced from PubChem (CID 101201557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).