9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene

C56H38 — CID 123864327

IUPAC9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)cc1)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C56H38/c1-3-13-41(14-4-1)48-36-49(42-15-5-2-6-16-42)38-50(37-48)56-53-21-11-9-19-51(53)55(52-20-10-12-22-54(52)56)45-31-27-40(28-32-45)24-23-39-25-29-44(30-26-39)47-34-33-43-17-7-8-18-46(43)35-47/h1-38H
InChIKeyWSMPFRQRUOJNNQ-UHFFFAOYSA-N
MW710.92 g/mol
LogP15.65
Rot. Bonds7

About 9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene

9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene (PubChem CID 123864327) has the molecular formula C56H38 and a molecular weight of 710.92 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
PubChem CID123864327
Molecular FormulaC56H38
Molecular Weight710.92 g/mol
Exact Mass710.30
IUPAC Name9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)cc1)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C56H38/c1-3-13-41(14-4-1)48-36-49(42-15-5-2-6-16-42)38-50(37-48)56-53-21-11-9-19-51(53)55(52-20-10-12-22-54(52)56)45-31-27-40(28-32-45)24-23-39-25-29-44(30-26-39)47-34-33-43-17-7-8-18-46(43)35-47/h1-38H
InChIKeyWSMPFRQRUOJNNQ-UHFFFAOYSA-N
XLogP15.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.92
LogP ≤ 515.65
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-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834635
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123412667
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene
CID 58963379
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
The IUPAC name of 9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene (CID 123864327) is 9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene.
What is the SMILES notation for 9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
The canonical SMILES for 9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene is C(=Cc1ccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)cc1)c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
The InChIKey is WSMPFRQRUOJNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38/c1-3-13-41(14-4-1)48-36-49(42-15-5-2-6-16-42)38-50(37-48)56-53-21-11-9-19-51(53)55(52-20-10-12-22-54(52)56)45-31-27-40(28-32-45)24-23-39-25-29-44(30-26-39)47-34-33-43-17-7-8-18-46(43)35-47/h1-38H.
What are the key properties of 9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene has a molecular weight of 710.92 g/mol, XLogP of 15.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene is sourced from PubChem (CID 123864327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).