2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene

C82H58 — CID 59120066

IUPAC2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene
SMILESC(=Cc1cc2cc3ccccc3cc2cc1C=Cc1ccccc1C=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccccc1C=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C82H58/c1-5-19-59(20-6-1)65-33-43-69(44-34-65)81(70-45-35-66(36-46-70)60-21-7-2-8-22-60)57-75-31-15-13-27-63(75)41-51-77-55-79-53-73-29-17-18-30-74(73)54-80(79)56-78(77)52-42-64-28-14-16-32-76(64)58-82(71-47-37-67(38-48-71)61-23-9-3-10-24-61)72-49-39-68(40-50-72)62-25-11-4-12-26-62/h1-58H
InChIKeyXTIFDDACHTYBPC-UHFFFAOYSA-N
MW1043.37 g/mol
LogP22.18
Rot. Bonds14

About 2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene

2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene (PubChem CID 59120066) has the molecular formula C82H58 and a molecular weight of 1043.37 g/mol. Its IUPAC name is 2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene.

Molecular Properties

Compound Name2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene
PubChem CID59120066
Molecular FormulaC82H58
Molecular Weight1043.37 g/mol
Exact Mass1042.45
IUPAC Name2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene
SMILESC(=Cc1cc2cc3ccccc3cc2cc1C=Cc1ccccc1C=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccccc1C=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C82H58/c1-5-19-59(20-6-1)65-33-43-69(44-34-65)81(70-45-35-66(36-46-70)60-21-7-2-8-22-60)57-75-31-15-13-27-63(75)41-51-77-55-79-53-73-29-17-18-30-74(73)54-80(79)56-78(77)52-42-64-28-14-16-32-76(64)58-82(71-47-37-67(38-48-71)61-23-9-3-10-24-61)72-49-39-68(40-50-72)62-25-11-4-12-26-62/h1-58H
InChIKeyXTIFDDACHTYBPC-UHFFFAOYSA-N
XLogP22.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.37
LogP ≤ 522.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene
CID 163869385
2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene
CID 163905286
1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
CID 163853364
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
2-(2,2-diphenylethenyl)anthracene
CID 155667641
1,2-bis[2-[2-[(Z)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 160707520
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
2,3-bis[2-[4-[2-(4-tert-butylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100430
2-phenoxy-4-[3-phenoxy-4-[2-phenyl-2-(4-phenylphenyl)ethenyl]phenyl]-1-[2-phenyl-2-(4-phenylphenyl)ethenyl]benzene
CID 54099253
2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene
CID 59120096
1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
CID 59119989
1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene
CID 159106915

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene?
The IUPAC name of 2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene (CID 59120066) is 2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene.
What is the SMILES notation for 2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene?
The canonical SMILES for 2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene is C(=Cc1cc2cc3ccccc3cc2cc1C=Cc1ccccc1C=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccccc1C=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene?
The InChIKey is XTIFDDACHTYBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58/c1-5-19-59(20-6-1)65-33-43-69(44-34-65)81(70-45-35-66(36-46-70)60-21-7-2-8-22-60)57-75-31-15-13-27-63(75)41-51-77-55-79-53-73-29-17-18-30-74(73)54-80(79)56-78(77)52-42-64-28-14-16-32-76(64)58-82(71-47-37-67(38-48-71)61-23-9-3-10-24-61)72-49-39-68(40-50-72)62-25-11-4-12-26-62/h1-58H.
What are the key properties of 2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene?
2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene has a molecular weight of 1043.37 g/mol, XLogP of 22.18, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene is sourced from PubChem (CID 59120066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).