1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene

C87H66 — CID 170669630

IUPAC1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
SMILESCc1ccc(/C(=C(\c2ccccc2)c2ccc(-c3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(C)cc5)c5ccccc5)cc4)cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(C)cc5)c5ccccc5)cc4)c3)cc2)c2ccccc2)cc1
InChIInChI=1S/C87H66/c1-61-34-40-73(41-35-61)82(67-22-10-4-11-23-67)85(70-28-16-7-17-29-70)76-52-46-64(47-53-76)79-58-80(65-48-54-77(55-49-65)86(71-30-18-8-19-31-71)83(68-24-12-5-13-25-68)74-42-36-62(2)37-43-74)60-81(59-79)66-50-56-78(57-51-66)87(72-32-20-9-21-33-72)84(69-26-14-6-15-27-69)75-44-38-63(3)39-45-75/h4-60H,1-3H3/b85-82+,86-83+,87-84+
InChIKeyIUKQUILLGPTHRS-RZUCKMDSSA-N
MW1111.48 g/mol
LogP22.64
Rot. Bonds15

About 1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene

1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene (PubChem CID 170669630) has the molecular formula C87H66 and a molecular weight of 1111.48 g/mol. Its IUPAC name is 1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene.

Molecular Properties

Compound Name1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
PubChem CID170669630
Molecular FormulaC87H66
Molecular Weight1111.48 g/mol
Exact Mass1110.52
IUPAC Name1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
SMILESCc1ccc(/C(=C(\c2ccccc2)c2ccc(-c3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(C)cc5)c5ccccc5)cc4)cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(C)cc5)c5ccccc5)cc4)c3)cc2)c2ccccc2)cc1
InChIInChI=1S/C87H66/c1-61-34-40-73(41-35-61)82(67-22-10-4-11-23-67)85(70-28-16-7-17-29-70)76-52-46-64(47-53-76)79-58-80(65-48-54-77(55-49-65)86(71-30-18-8-19-31-71)83(68-24-12-5-13-25-68)74-42-36-62(2)37-43-74)60-81(59-79)66-50-56-78(57-51-66)87(72-32-20-9-21-33-72)84(69-26-14-6-15-27-69)75-44-38-63(3)39-45-75/h4-60H,1-3H3/b85-82+,86-83+,87-84+
InChIKeyIUKQUILLGPTHRS-RZUCKMDSSA-N
XLogP22.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.48
LogP ≤ 522.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
CID 58942110
1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene
CID 72708016
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
CID 100919311
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol
CID 71093796
1-methyl-4-[(4-methylphenoxy)methoxy]benzene;1-methyl-4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]benzene
CID 158021334
4-[4-[2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]-7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazole
CID 123446460
2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 138548269

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene?
The IUPAC name of 1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene (CID 170669630) is 1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene.
What is the SMILES notation for 1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene?
The canonical SMILES for 1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene is Cc1ccc(/C(=C(\c2ccccc2)c2ccc(-c3cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(C)cc5)c5ccccc5)cc4)cc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(C)cc5)c5ccccc5)cc4)c3)cc2)c2ccccc2)cc1.
What is the InChIKey of 1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene?
The InChIKey is IUKQUILLGPTHRS-RZUCKMDSSA-N. The full InChI is InChI=1S/C87H66/c1-61-34-40-73(41-35-61)82(67-22-10-4-11-23-67)85(70-28-16-7-17-29-70)76-52-46-64(47-53-76)79-58-80(65-48-54-77(55-49-65)86(71-30-18-8-19-31-71)83(68-24-12-5-13-25-68)74-42-36-62(2)37-43-74)60-81(59-79)66-50-56-78(57-51-66)87(72-32-20-9-21-33-72)84(69-26-14-6-15-27-69)75-44-38-63(3)39-45-75/h4-60H,1-3H3/b85-82+,86-83+,87-84+.
What are the key properties of 1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene?
1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene has a molecular weight of 1111.48 g/mol, XLogP of 22.64, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene is sourced from PubChem (CID 170669630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).