9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene

C62H42 — CID 59858851

IUPAC9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1cc(-c2c3ccccc3c(-c3cc(C=C(c4ccccc4)c4ccccc4)cc4ccccc34)c3ccccc23)c2ccccc2c1
InChIInChI=1S/C62H42/c1-5-21-45(22-6-1)57(46-23-7-2-8-24-46)39-43-37-49-29-13-15-31-51(49)59(41-43)61-53-33-17-19-35-55(53)62(56-36-20-18-34-54(56)61)60-42-44(38-50-30-14-16-32-52(50)60)40-58(47-25-9-3-10-26-47)48-27-11-4-12-28-48/h1-42H
InChIKeyLBJIXWXGMJVVFY-UHFFFAOYSA-N
MW787.02 g/mol
LogP16.81
Rot. Bonds8

About 9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene

9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene (PubChem CID 59858851) has the molecular formula C62H42 and a molecular weight of 787.02 g/mol. Its IUPAC name is 9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene
PubChem CID59858851
Molecular FormulaC62H42
Molecular Weight787.02 g/mol
Exact Mass786.33
IUPAC Name9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1cc(-c2c3ccccc3c(-c3cc(C=C(c4ccccc4)c4ccccc4)cc4ccccc34)c3ccccc23)c2ccccc2c1
InChIInChI=1S/C62H42/c1-5-21-45(22-6-1)57(46-23-7-2-8-24-46)39-43-37-49-29-13-15-31-51(49)59(41-43)61-53-33-17-19-35-55(53)62(56-36-20-18-34-54(56)61)60-42-44(38-50-30-14-16-32-52(50)60)40-58(47-25-9-3-10-26-47)48-27-11-4-12-28-48/h1-42H
InChIKeyLBJIXWXGMJVVFY-UHFFFAOYSA-N
XLogP16.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.02
LogP ≤ 516.81
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

9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
2-(2,2-diphenylethenyl)anthracene
CID 155667641
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
CID 158494908
9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene
CID 59459841
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 58814327
1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene
CID 147683852
9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene
CID 18335711
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene
CID 161350530
CID 173126547
CID 173126547
1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59220024
1-[(Z)-1,2-diphenylethenyl]naphthalene
CID 11347319

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene?
The IUPAC name of 9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene (CID 59858851) is 9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene.
What is the SMILES notation for 9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene?
The canonical SMILES for 9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene is C(=C(c1ccccc1)c1ccccc1)c1cc(-c2c3ccccc3c(-c3cc(C=C(c4ccccc4)c4ccccc4)cc4ccccc34)c3ccccc23)c2ccccc2c1.
What is the InChIKey of 9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene?
The InChIKey is LBJIXWXGMJVVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42/c1-5-21-45(22-6-1)57(46-23-7-2-8-24-46)39-43-37-49-29-13-15-31-51(49)59(41-43)61-53-33-17-19-35-55(53)62(56-36-20-18-34-54(56)61)60-42-44(38-50-30-14-16-32-52(50)60)40-58(47-25-9-3-10-26-47)48-27-11-4-12-28-48/h1-42H.
What are the key properties of 9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene?
9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene has a molecular weight of 787.02 g/mol, XLogP of 16.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 59858851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).