9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene

C64H44 — CID 58814327

IUPAC9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccccc5)cc4)c3)c3ccccc23)cc1
InChIInChI=1S/C64H44/c1-5-17-46(18-6-1)48-33-37-50(38-34-48)55-42-56(51-39-35-49(36-40-51)47-19-7-2-8-20-47)44-57(43-55)64-60-27-15-13-25-58(60)63(59-26-14-16-28-61(59)64)54-31-29-45(30-32-54)41-62(52-21-9-3-10-22-52)53-23-11-4-12-24-53/h1-44H
InChIKeyMGURYRUDESCTOQ-UHFFFAOYSA-N
MW813.06 g/mol
LogP17.58
Rot. Bonds9

About 9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene

9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene (PubChem CID 58814327) has the molecular formula C64H44 and a molecular weight of 813.06 g/mol. Its IUPAC name is 9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
PubChem CID58814327
Molecular FormulaC64H44
Molecular Weight813.06 g/mol
Exact Mass812.34
IUPAC Name9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccccc5)cc4)c3)c3ccccc23)cc1
InChIInChI=1S/C64H44/c1-5-17-46(18-6-1)48-33-37-50(38-34-48)55-42-56(51-39-35-49(36-40-51)47-19-7-2-8-20-47)44-57(43-55)64-60-27-15-13-25-58(60)63(59-26-14-16-28-61(59)64)54-31-29-45(30-32-54)41-62(52-21-9-3-10-22-52)53-23-11-4-12-24-53/h1-44H
InChIKeyMGURYRUDESCTOQ-UHFFFAOYSA-N
XLogP17.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.06
LogP ≤ 517.58
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
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
9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2,6-diphenylanthracene;9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-phenylanthracene;2-tert-butyl-9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;2-tert-butyl-9,10-bis[3-(2,2-diphenylethenyl)-5-phenylphenyl]anthracene
CID 165052647
4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline
CID 23067335
triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane
CID 20724631
9-[4-(2,2-diphenylethenyl)phenyl]-10-[3-[4-(4-methylphenyl)phenyl]-5-[4-(4-penta-1,3-diynylphenyl)phenyl]phenyl]anthracene
CID 59695983
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol
CID 139997699
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene
CID 161350530
9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene
CID 18335711
10-[3,5-bis(4-pentylphenyl)phenyl]-9-[4-(2,2-diphenylethenyl)phenyl]-1-phenylanthracene
CID 90778796

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene?
The IUPAC name of 9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene (CID 58814327) is 9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene.
What is the SMILES notation for 9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene?
The canonical SMILES for 9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccccc5)cc4)c3)c3ccccc23)cc1.
What is the InChIKey of 9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene?
The InChIKey is MGURYRUDESCTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44/c1-5-17-46(18-6-1)48-33-37-50(38-34-48)55-42-56(51-39-35-49(36-40-51)47-19-7-2-8-20-47)44-57(43-55)64-60-27-15-13-25-58(60)63(59-26-14-16-28-61(59)64)54-31-29-45(30-32-54)41-62(52-21-9-3-10-22-52)53-23-11-4-12-24-53/h1-44H.
What are the key properties of 9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene?
9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene has a molecular weight of 813.06 g/mol, XLogP of 17.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene is sourced from PubChem (CID 58814327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).