1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene

C60H38 — CID 143913993

IUPAC1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3c(-c4ccc5ccccc5c4)ccc(-c4ccc5ccccc5c4)c23)c1
InChIInChI=1S/C60H38/c1-5-16-43-34-48(28-24-39(43)12-1)47-20-11-21-51(38-47)57-55-22-9-10-23-56(55)58(52-31-27-42-15-4-8-19-46(42)37-52)60-54(50-30-26-41-14-3-7-18-45(41)36-50)33-32-53(59(57)60)49-29-25-40-13-2-6-17-44(40)35-49/h1-38H
InChIKeyNRYUTIOLCYTZBG-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.94
Rot. Bonds5

About 1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene

1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 143913993) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
PubChem CID143913993
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3c(-c4ccc5ccccc5c4)ccc(-c4ccc5ccccc5c4)c23)c1
InChIInChI=1S/C60H38/c1-5-16-43-34-48(28-24-39(43)12-1)47-20-11-21-51(38-47)57-55-22-9-10-23-56(55)58(52-31-27-42-15-4-8-19-46(42)37-52)60-54(50-30-26-41-14-3-7-18-45(41)36-50)33-32-53(59(57)60)49-29-25-40-13-2-6-17-44(40)35-49/h1-38H
InChIKeyNRYUTIOLCYTZBG-UHFFFAOYSA-N
XLogP16.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 516.94
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-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene
CID 143913988
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
CID 143300939
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene
CID 58323114
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762708

Frequently Asked Questions

What is the IUPAC name of 1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene (CID 143913993) is 1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3c(-c4ccc5ccccc5c4)ccc(-c4ccc5ccccc5c4)c23)c1.
What is the InChIKey of 1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is NRYUTIOLCYTZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-5-16-43-34-48(28-24-39(43)12-1)47-20-11-21-51(38-47)57-55-22-9-10-23-56(55)58(52-31-27-42-15-4-8-19-46(42)37-52)60-54(50-30-26-41-14-3-7-18-45(41)36-50)33-32-53(59(57)60)49-29-25-40-13-2-6-17-44(40)35-49/h1-38H.
What are the key properties of 1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene has a molecular weight of 758.96 g/mol, XLogP of 16.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 143913993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).