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

C134H212F10O6 — CID 177389517

IUPAC1-[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
SMILESCCCCCCCCCCCCCCCCOc1cc(C=Cc2cc(OCCCCCCCCCCCCCCCC)c(C=Cc3c(F)c(F)c(F)c(F)c3F)cc2OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)cc1C=Cc1cc(OCCCCCCCCCCCCCCCC)c(C=Cc2c(F)c(F)c(F)c(F)c2F)cc1OCCCCCCCCCCCCCCCC
InChIInChI=1S/C134H212F10O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-99-145-119-105-112(92-94-114-108-124(150-104-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)116(96-98-118-127(137)131(141)134(144)132(142)128(118)138)110-122(114)148-102-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)120(146-100-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)106-111(119)91-93-113-107-123(149-103-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)115(95-97-117-125(135)129(139)133(143)130(140)126(117)136)109-121(113)147-101-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h91-98,105-110H,7-90,99-104H2,1-6H3
InChIKeyKLAXHTMMXNSIGO-UHFFFAOYSA-N
MW2109.14 g/mol
LogP46.92
Rot. Bonds104

About 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

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 (PubChem CID 177389517) has the molecular formula C134H212F10O6 and a molecular weight of 2109.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID177389517
Molecular FormulaC134H212F10O6
Molecular Weight2109.14 g/mol
Exact Mass2107.61
IUPAC Name1-[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
SMILESCCCCCCCCCCCCCCCCOc1cc(C=Cc2cc(OCCCCCCCCCCCCCCCC)c(C=Cc3c(F)c(F)c(F)c(F)c3F)cc2OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)cc1C=Cc1cc(OCCCCCCCCCCCCCCCC)c(C=Cc2c(F)c(F)c(F)c(F)c2F)cc1OCCCCCCCCCCCCCCCC
InChIInChI=1S/C134H212F10O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-99-145-119-105-112(92-94-114-108-124(150-104-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)116(96-98-118-127(137)131(141)134(144)132(142)128(118)138)110-122(114)148-102-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)120(146-100-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)106-111(119)91-93-113-107-123(149-103-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)115(95-97-117-125(135)129(139)133(143)130(140)126(117)136)109-121(113)147-101-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h91-98,105-110H,7-90,99-104H2,1-6H3
InChIKeyKLAXHTMMXNSIGO-UHFFFAOYSA-N
XLogP46.92
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds104
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002109.14
LogP ≤ 546.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476
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
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
(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
2-fluoro-1-[2-(2-fluoro-3-octoxyphenyl)ethenyl]-3-octoxybenzene
CID 54508553
4-[(E)-2-[4-[(E)-2-(4-formylphenyl)ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]benzaldehyde
CID 102237302
2-[4-[(E)-2-[2,5-dioctoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl]-2,5-dioctoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177394805
1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene
CID 59896216
1,4-bis[(E)-2-[2,6-bis(2,4,6-trimethylphenyl)phenyl]ethenyl]-2,5-dihexoxybenzene
CID 101402314
1-decoxy-2-[(E)-2-(5-methoxy-2,4-dimethylphenyl)ethenyl]-4,5-dimethylbenzene
CID 58038590

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCCCCCOc1cc(C=Cc2cc(OCCCCCCCCCCCCCCCC)c(C=Cc3c(F)c(F)c(F)c(F)c3F)cc2OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)cc1C=Cc1cc(OCCCCCCCCCCCCCCCC)c(C=Cc2c(F)c(F)c(F)c(F)c2F)cc1OCCCCCCCCCCCCCCCC.
What is the InChIKey of 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?
The InChIKey is KLAXHTMMXNSIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H212F10O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-99-145-119-105-112(92-94-114-108-124(150-104-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)116(96-98-118-127(137)131(141)134(144)132(142)128(118)138)110-122(114)148-102-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)120(146-100-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)106-111(119)91-93-113-107-123(149-103-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)115(95-97-117-125(135)129(139)133(143)130(140)126(117)136)109-121(113)147-101-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h91-98,105-110H,7-90,99-104H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 2109.14 g/mol, XLogP of 46.92, 104 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177389517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).