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

C60H40 — CID 59798540

IUPAC9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5)c5ccccc45)c3)c2)cc1
InChIInChI=1S/C60H40/c1-3-15-41(16-4-1)52-38-53(42-17-5-2-6-18-42)40-54(39-52)49-23-14-24-51(37-49)60-57-27-11-9-25-55(57)59(56-26-10-12-28-58(56)60)45-32-29-44(30-33-45)47-21-13-22-48(35-47)50-34-31-43-19-7-8-20-46(43)36-50/h1-40H
InChIKeyZTVFHWNMHCJKAU-UHFFFAOYSA-N
MW760.98 g/mol
LogP16.82
Rot. Bonds7

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

9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene (PubChem CID 59798540) has the molecular formula C60H40 and a molecular weight of 760.98 g/mol. Its IUPAC name is 9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
PubChem CID59798540
Molecular FormulaC60H40
Molecular Weight760.98 g/mol
Exact Mass760.31
IUPAC Name9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5)c5ccccc45)c3)c2)cc1
InChIInChI=1S/C60H40/c1-3-15-41(16-4-1)52-38-53(42-17-5-2-6-18-42)40-54(39-52)49-23-14-24-51(37-49)60-57-27-11-9-25-55(57)59(56-26-10-12-28-58(56)60)45-32-29-44(30-33-45)47-21-13-22-48(35-47)50-34-31-43-19-7-8-20-46(43)36-50/h1-40H
InChIKeyZTVFHWNMHCJKAU-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-(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-(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-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene?
The IUPAC name of 9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene (CID 59798540) is 9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene?
The canonical SMILES for 9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5)c5ccccc45)c3)c2)cc1.
What is the InChIKey of 9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene?
The InChIKey is ZTVFHWNMHCJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40/c1-3-15-41(16-4-1)52-38-53(42-17-5-2-6-18-42)40-54(39-52)49-23-14-24-51(37-49)60-57-27-11-9-25-55(57)59(56-26-10-12-28-58(56)60)45-32-29-44(30-33-45)47-21-13-22-48(35-47)50-34-31-43-19-7-8-20-46(43)36-50/h1-40H.
What are the key properties of 9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene?
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]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-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene is sourced from PubChem (CID 59798540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).