2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene

C58H42 — CID 163869385

IUPAC2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene
SMILESC(=Cc1cc2cc3ccccc3cc2cc1/C=C\c1ccccc1C=C(c1ccccc1)c1ccccc1)c1ccccc1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C58H42/c1-5-21-45(22-6-1)57(46-23-7-2-8-24-46)41-51-31-15-13-19-43(51)33-35-53-39-55-37-49-29-17-18-30-50(49)38-56(55)40-54(53)36-34-44-20-14-16-32-52(44)42-58(47-25-9-3-10-26-47)48-27-11-4-12-28-48/h1-42H/b35-33-,36-34?
InChIKeyPJLLQQCVBQHNEW-VGFHZNBSSA-N
MW738.97 g/mol
LogP15.51
Rot. Bonds10

About 2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene

2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene (PubChem CID 163869385) has the molecular formula C58H42 and a molecular weight of 738.97 g/mol. Its IUPAC name is 2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene.

Molecular Properties

Compound Name2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene
PubChem CID163869385
Molecular FormulaC58H42
Molecular Weight738.97 g/mol
Exact Mass738.33
IUPAC Name2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene
SMILESC(=Cc1cc2cc3ccccc3cc2cc1/C=C\c1ccccc1C=C(c1ccccc1)c1ccccc1)c1ccccc1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C58H42/c1-5-21-45(22-6-1)57(46-23-7-2-8-24-46)41-51-31-15-13-19-43(51)33-35-53-39-55-37-49-29-17-18-30-50(49)38-56(55)40-54(53)36-34-44-20-14-16-32-52(44)42-58(47-25-9-3-10-26-47)48-27-11-4-12-28-48/h1-42H/b35-33-,36-34?
InChIKeyPJLLQQCVBQHNEW-VGFHZNBSSA-N
XLogP15.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.97
LogP ≤ 515.51
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

2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene
CID 59120066
2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene
CID 163905286
2-(2,2-diphenylethenyl)anthracene
CID 155667641
1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
CID 163853364
1,2-bis[2-[2-[(Z)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 160707520
2,3-bis[2-[4-[2-(4-tert-butylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100430
1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
CID 59119989
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
2-[1-phenyl-2-[2-[2-[2-[2-[2-(2-phenyl-2-thiophen-2-ylethenyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]thiophene
CID 59120118
2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100524
9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene
CID 157180740
1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene
CID 59100453

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene?
The IUPAC name of 2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene (CID 163869385) is 2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene.
What is the SMILES notation for 2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene?
The canonical SMILES for 2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene is C(=Cc1cc2cc3ccccc3cc2cc1/C=C\c1ccccc1C=C(c1ccccc1)c1ccccc1)c1ccccc1C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene?
The InChIKey is PJLLQQCVBQHNEW-VGFHZNBSSA-N. The full InChI is InChI=1S/C58H42/c1-5-21-45(22-6-1)57(46-23-7-2-8-24-46)41-51-31-15-13-19-43(51)33-35-53-39-55-37-49-29-17-18-30-50(49)38-56(55)40-54(53)36-34-44-20-14-16-32-52(44)42-58(47-25-9-3-10-26-47)48-27-11-4-12-28-48/h1-42H/b35-33-,36-34?.
What are the key properties of 2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene?
2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene has a molecular weight of 738.97 g/mol, XLogP of 15.51, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene is sourced from PubChem (CID 163869385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).