1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene

C56H46O — CID 58942110

IUPAC1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
SMILESCc1ccc(C(=C(c2ccc(C)cc2)c2ccc(Oc3ccc(/C(=C(/c4ccccc4)c4ccc(C)cc4)c4ccccc4)cc3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C56H46O/c1-39-15-23-45(24-16-39)53(43-11-7-5-8-12-43)54(44-13-9-6-10-14-44)49-31-35-51(36-32-49)57-52-37-33-50(34-38-52)56(48-29-21-42(4)22-30-48)55(46-25-17-40(2)18-26-46)47-27-19-41(3)20-28-47/h5-38H,1-4H3/b54-53-
InChIKeyVDANELFPJOYOHZ-QOLNFUTBSA-N
MW734.98 g/mol
LogP14.73
Rot. Bonds10

About 1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene

1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene (PubChem CID 58942110) has the molecular formula C56H46O and a molecular weight of 734.98 g/mol. Its IUPAC name is 1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
PubChem CID58942110
Molecular FormulaC56H46O
Molecular Weight734.98 g/mol
Exact Mass734.35
IUPAC Name1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
SMILESCc1ccc(C(=C(c2ccc(C)cc2)c2ccc(Oc3ccc(/C(=C(/c4ccccc4)c4ccc(C)cc4)c4ccccc4)cc3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C56H46O/c1-39-15-23-45(24-16-39)53(43-11-7-5-8-12-43)54(44-13-9-6-10-14-44)49-31-35-51(36-32-49)57-52-37-33-50(34-38-52)56(48-29-21-42(4)22-30-48)55(46-25-17-40(2)18-26-46)47-27-19-41(3)20-28-47/h5-38H,1-4H3/b54-53-
InChIKeyVDANELFPJOYOHZ-QOLNFUTBSA-N
XLogP14.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.98
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(4-methylphenoxy)methoxy]benzene;1-methyl-4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]benzene
CID 158021334
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
CID 156703039
1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
CID 170669630
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 171830981
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 23393598

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene?
The IUPAC name of 1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene (CID 58942110) is 1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene?
The canonical SMILES for 1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene is Cc1ccc(C(=C(c2ccc(C)cc2)c2ccc(Oc3ccc(/C(=C(/c4ccccc4)c4ccc(C)cc4)c4ccccc4)cc3)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene?
The InChIKey is VDANELFPJOYOHZ-QOLNFUTBSA-N. The full InChI is InChI=1S/C56H46O/c1-39-15-23-45(24-16-39)53(43-11-7-5-8-12-43)54(44-13-9-6-10-14-44)49-31-35-51(36-32-49)57-52-37-33-50(34-38-52)56(48-29-21-42(4)22-30-48)55(46-25-17-40(2)18-26-46)47-27-19-41(3)20-28-47/h5-38H,1-4H3/b54-53-.
What are the key properties of 1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene?
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene has a molecular weight of 734.98 g/mol, XLogP of 14.73, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene is sourced from PubChem (CID 58942110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).