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

C62H50 — CID 163905286

IUPAC2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene
SMILESCc1ccc(C(=Cc2ccccc2/C=C\c2cc3cc4ccccc4cc3cc2/C=C\c2ccccc2C=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C62H50/c1-43-17-25-49(26-18-43)61(50-27-19-44(2)20-28-50)41-55-15-7-5-11-47(55)33-35-57-39-59-37-53-13-9-10-14-54(53)38-60(59)40-58(57)36-34-48-12-6-8-16-56(48)42-62(51-29-21-45(3)22-30-51)52-31-23-46(4)24-32-52/h5-42H,1-4H3/b35-33-,36-34-
InChIKeyQNJSBAKFSFOBRV-SGRXOXICSA-N
MW795.08 g/mol
LogP16.75
Rot. Bonds10

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

2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene (PubChem CID 163905286) has the molecular formula C62H50 and a molecular weight of 795.08 g/mol. Its IUPAC name is 2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene.

Molecular Properties

Compound Name2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene
PubChem CID163905286
Molecular FormulaC62H50
Molecular Weight795.08 g/mol
Exact Mass794.39
IUPAC Name2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene
SMILESCc1ccc(C(=Cc2ccccc2/C=C\c2cc3cc4ccccc4cc3cc2/C=C\c2ccccc2C=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C62H50/c1-43-17-25-49(26-18-43)61(50-27-19-44(2)20-28-50)41-55-15-7-5-11-47(55)33-35-57-39-59-37-53-13-9-10-14-54(53)38-60(59)40-58(57)36-34-48-12-6-8-16-56(48)42-62(51-29-21-45(3)22-30-51)52-31-23-46(4)24-32-52/h5-42H,1-4H3/b35-33-,36-34-
InChIKeyQNJSBAKFSFOBRV-SGRXOXICSA-N
XLogP16.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.08
LogP ≤ 516.75
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[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene
CID 59120066
2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane
CID 90817407
9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene
CID 157180740
1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene
CID 147683852
1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
CID 163853364
2,3-bis[2-[4-[2-(4-tert-butylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100430
2-(2,2-diphenylethenyl)anthracene
CID 155667641
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
1,2-bis[2-[2-[(Z)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 160707520
1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene
CID 163829101
anthracene;4-methylbenzoic acid
CID 175030135

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene?
The IUPAC name of 2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene (CID 163905286) is 2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene.
What is the SMILES notation for 2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene?
The canonical SMILES for 2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene is Cc1ccc(C(=Cc2ccccc2/C=C\c2cc3cc4ccccc4cc3cc2/C=C\c2ccccc2C=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene?
The InChIKey is QNJSBAKFSFOBRV-SGRXOXICSA-N. The full InChI is InChI=1S/C62H50/c1-43-17-25-49(26-18-43)61(50-27-19-44(2)20-28-50)41-55-15-7-5-11-47(55)33-35-57-39-59-37-53-13-9-10-14-54(53)38-60(59)40-58(57)36-34-48-12-6-8-16-56(48)42-62(51-29-21-45(3)22-30-51)52-31-23-46(4)24-32-52/h5-42H,1-4H3/b35-33-,36-34-.
What are the key properties of 2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene?
2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene has a molecular weight of 795.08 g/mol, XLogP of 16.75, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene is sourced from PubChem (CID 163905286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).