1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene

C114H136O4 — CID 162693500

IUPAC1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene
SMILESCCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3ccc(/C(=C(\c4ccccc4)c4ccc(/C=C/c5cc(/C=C/c6cccc(OCCCCCCCCCC)c6)cc(/C=C/c6cccc(OCCCCCCCCCC)c6)c5)cc4)c4ccccc4)cc3)cc(/C=C/c3cccc(OCCCCCCCCCC)c3)c2)c1
InChIInChI=1S/C114H136O4/c1-5-9-13-17-21-25-29-39-79-115-109-55-43-47-95(89-109)61-67-101-83-99(84-102(87-101)68-62-96-48-44-56-110(90-96)116-80-40-30-26-22-18-14-10-6-2)65-59-93-71-75-107(76-72-93)113(105-51-35-33-36-52-105)114(106-53-37-34-38-54-106)108-77-73-94(74-78-108)60-66-100-85-103(69-63-97-49-45-57-111(91-97)117-81-41-31-27-23-19-15-11-7-3)88-104(86-100)70-64-98-50-46-58-112(92-98)118-82-42-32-28-24-20-16-12-8-4/h33-38,43-78,83-92H,5-32,39-42,79-82H2,1-4H3/b65-59+,66-60+,67-61+,68-62+,69-63+,70-64+,114-113+
InChIKeyIAWZNYVTYBKFIT-CCULAKJNSA-N
MW1570.34 g/mol
LogP33.79
Rot. Bonds56

About 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene

1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene (PubChem CID 162693500) has the molecular formula C114H136O4 and a molecular weight of 1570.34 g/mol. Its IUPAC name is 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene
PubChem CID162693500
Molecular FormulaC114H136O4
Molecular Weight1570.34 g/mol
Exact Mass1569.04
IUPAC Name1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene
SMILESCCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3ccc(/C(=C(\c4ccccc4)c4ccc(/C=C/c5cc(/C=C/c6cccc(OCCCCCCCCCC)c6)cc(/C=C/c6cccc(OCCCCCCCCCC)c6)c5)cc4)c4ccccc4)cc3)cc(/C=C/c3cccc(OCCCCCCCCCC)c3)c2)c1
InChIInChI=1S/C114H136O4/c1-5-9-13-17-21-25-29-39-79-115-109-55-43-47-95(89-109)61-67-101-83-99(84-102(87-101)68-62-96-48-44-56-110(90-96)116-80-40-30-26-22-18-14-10-6-2)65-59-93-71-75-107(76-72-93)113(105-51-35-33-36-52-105)114(106-53-37-34-38-54-106)108-77-73-94(74-78-108)60-66-100-85-103(69-63-97-49-45-57-111(91-97)117-81-41-31-27-23-19-15-11-7-3)88-104(86-100)70-64-98-50-46-58-112(92-98)118-82-42-32-28-24-20-16-12-8-4/h33-38,43-78,83-92H,5-32,39-42,79-82H2,1-4H3/b65-59+,66-60+,67-61+,68-62+,69-63+,70-64+,114-113+
InChIKeyIAWZNYVTYBKFIT-CCULAKJNSA-N
XLogP33.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds56
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001570.34
LogP ≤ 533.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene with MolForge

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Related Compounds

3-(3-tridecoxyphenyl)prop-2-enoic acid
CID 139730309
3-(3-hexoxyphenyl)prop-2-enoic acid
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[4-[(E)-2-[3-[(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxyphenyl]ethenyl]phenyl] 4-dodecoxybenzoate
CID 102149220
(E)-2-methyl-3-(3-tetradecoxyphenyl)prop-2-enoic acid
CID 12636970
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-(3-butoxyphenyl)-3-(4-octadecoxyphenyl)prop-2-en-1-one
CID 139681221
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CID 175548052
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
1-bromo-4-[1-(4-octoxyphenyl)-2,2-diphenylethenyl]benzene
CID 134249125
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
1-(3-henicosoxyphenyl)ethanone
CID 23127401
1,3-dihexadecoxybenzene
CID 12686834

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene (CID 162693500) is 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene is CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3ccc(/C(=C(\c4ccccc4)c4ccc(/C=C/c5cc(/C=C/c6cccc(OCCCCCCCCCC)c6)cc(/C=C/c6cccc(OCCCCCCCCCC)c6)c5)cc4)c4ccccc4)cc3)cc(/C=C/c3cccc(OCCCCCCCCCC)c3)c2)c1.
What is the InChIKey of 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene?
The InChIKey is IAWZNYVTYBKFIT-CCULAKJNSA-N. The full InChI is InChI=1S/C114H136O4/c1-5-9-13-17-21-25-29-39-79-115-109-55-43-47-95(89-109)61-67-101-83-99(84-102(87-101)68-62-96-48-44-56-110(90-96)116-80-40-30-26-22-18-14-10-6-2)65-59-93-71-75-107(76-72-93)113(105-51-35-33-36-52-105)114(106-53-37-34-38-54-106)108-77-73-94(74-78-108)60-66-100-85-103(69-63-97-49-45-57-111(91-97)117-81-41-31-27-23-19-15-11-7-3)88-104(86-100)70-64-98-50-46-58-112(92-98)118-82-42-32-28-24-20-16-12-8-4/h33-38,43-78,83-92H,5-32,39-42,79-82H2,1-4H3/b65-59+,66-60+,67-61+,68-62+,69-63+,70-64+,114-113+.
What are the key properties of 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene?
1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene has a molecular weight of 1570.34 g/mol, XLogP of 33.79, 56 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]-1,2-diphenylethenyl]phenyl]ethenyl]-3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 162693500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).