9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene

C60H40 — CID 144837476

IUPAC9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6ccccc6)c5)cc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc45)c3)c2)cc1
InChIInChI=1S/C60H40/c1-4-17-41(18-5-1)44-23-14-25-46(35-44)47-26-16-28-49(37-47)58-40-52(48-27-15-24-45(36-48)42-19-6-2-7-20-42)38-50-33-34-51(39-57(50)58)60-55-31-12-10-29-53(55)59(43-21-8-3-9-22-43)54-30-11-13-32-56(54)60/h1-40H
InChIKeyJMTAGPCLZGPFSH-UHFFFAOYSA-N
MW760.98 g/mol
LogP16.82
Rot. Bonds7

About 9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene

9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene (PubChem CID 144837476) has the molecular formula C60H40 and a molecular weight of 760.98 g/mol. Its IUPAC name is 9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
PubChem CID144837476
Molecular FormulaC60H40
Molecular Weight760.98 g/mol
Exact Mass760.31
IUPAC Name9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6ccccc6)c5)cc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc45)c3)c2)cc1
InChIInChI=1S/C60H40/c1-4-17-41(18-5-1)44-23-14-25-46(35-44)47-26-16-28-49(37-47)58-40-52(48-27-15-24-45(36-48)42-19-6-2-7-20-42)38-50-33-34-51(39-57(50)58)60-55-31-12-10-29-53(55)59(43-21-8-3-9-22-43)54-30-11-13-32-56(54)60/h1-40H
InChIKeyJMTAGPCLZGPFSH-UHFFFAOYSA-N
XLogP16.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.98
LogP ≤ 516.82
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-phenyl-10-[6-(4-phenylphenyl)-8-[4-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837417
9-[8-(3,5-diphenylphenyl)-6-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837395
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-phenyl-10-[7-phenyl-6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590145
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
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-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(4-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(5-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(7-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(8-phenylnaphthalen-2-yl)phenyl]anthracene
CID 160679060
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene?
The IUPAC name of 9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene (CID 144837476) is 9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene?
The canonical SMILES for 9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene is c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6ccccc6)c5)cc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc45)c3)c2)cc1.
What is the InChIKey of 9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene?
The InChIKey is JMTAGPCLZGPFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40/c1-4-17-41(18-5-1)44-23-14-25-46(35-44)47-26-16-28-49(37-47)58-40-52(48-27-15-24-45(36-48)42-19-6-2-7-20-42)38-50-33-34-51(39-57(50)58)60-55-31-12-10-29-53(55)59(43-21-8-3-9-22-43)54-30-11-13-32-56(54)60/h1-40H.
What are the key properties of 9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene?
9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene has a molecular weight of 760.98 g/mol, XLogP of 16.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene is sourced from PubChem (CID 144837476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).