9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene

C56H38 — CID 155648463

IUPAC9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)c5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C56H38/c1-4-16-39(17-5-1)42-30-32-43(33-31-42)55-51-26-10-12-28-53(51)56(54-29-13-11-27-52(54)55)47-25-15-24-46(35-47)50-37-48(41-20-8-3-9-21-41)36-49(38-50)45-23-14-22-44(34-45)40-18-6-2-7-19-40/h1-38H
InChIKeyKWYMDGWACNEFAU-UHFFFAOYSA-N
MW710.92 g/mol
LogP15.66
Rot. Bonds7

About 9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene

9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene (PubChem CID 155648463) has the molecular formula C56H38 and a molecular weight of 710.92 g/mol. Its IUPAC name is 9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
PubChem CID155648463
Molecular FormulaC56H38
Molecular Weight710.92 g/mol
Exact Mass710.30
IUPAC Name9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)c5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C56H38/c1-4-16-39(17-5-1)42-30-32-43(33-31-42)55-51-26-10-12-28-53(51)56(54-29-13-11-27-52(54)55)47-25-15-24-46(35-47)50-37-48(41-20-8-3-9-21-41)36-49(38-50)45-23-14-22-44(34-45)40-18-6-2-7-19-40/h1-38H
InChIKeyKWYMDGWACNEFAU-UHFFFAOYSA-N
XLogP15.66
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 ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
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-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene?
The IUPAC name of 9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene (CID 155648463) is 9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene.
What is the SMILES notation for 9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene?
The canonical SMILES for 9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)c5)c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene?
The InChIKey is KWYMDGWACNEFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38/c1-4-16-39(17-5-1)42-30-32-43(33-31-42)55-51-26-10-12-28-53(51)56(54-29-13-11-27-52(54)55)47-25-15-24-46(35-47)50-37-48(41-20-8-3-9-21-41)36-49(38-50)45-23-14-22-44(34-45)40-18-6-2-7-19-40/h1-38H.
What are the key properties of 9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene?
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene has a molecular weight of 710.92 g/mol, XLogP of 15.66, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene is sourced from PubChem (CID 155648463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).