9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene

C48H34 — CID 174112861

IUPAC9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene
SMILESCc1ccccc1-c1cc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)c2ccccc2c1C
InChIInChI=1S/C48H34/c1-31-14-3-6-19-38(31)45-30-46(40-21-8-7-20-39(40)32(45)2)35-17-13-18-36(29-35)47-41-22-9-11-24-43(41)48(44-25-12-10-23-42(44)47)37-27-26-33-15-4-5-16-34(33)28-37/h3-30H,1-2H3
InChIKeySYURUJFYFPYLND-UHFFFAOYSA-N
MW610.80 g/mol
LogP13.58
Rot. Bonds4

About 9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene

9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene (PubChem CID 174112861) has the molecular formula C48H34 and a molecular weight of 610.80 g/mol. Its IUPAC name is 9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene
PubChem CID174112861
Molecular FormulaC48H34
Molecular Weight610.80 g/mol
Exact Mass610.27
IUPAC Name9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene
SMILESCc1ccccc1-c1cc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)c2ccccc2c1C
InChIInChI=1S/C48H34/c1-31-14-3-6-19-38(31)45-30-46(40-21-8-7-20-39(40)32(45)2)35-17-13-18-36(29-35)47-41-22-9-11-24-43(41)48(44-25-12-10-23-42(44)47)37-27-26-33-15-4-5-16-34(33)28-37/h3-30H,1-2H3
InChIKeySYURUJFYFPYLND-UHFFFAOYSA-N
XLogP13.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 513.58
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-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene
CID 143043876
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
9-[3-[3-methyl-4-(3-methylnaphthalen-2-yl)phenyl]phenyl]-10-(4-naphthalen-2-ylphenyl)anthracene
CID 144703489
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
CID 143300939
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
9-[4-methyl-3-(3-methylnaphthalen-2-yl)phenyl]-10-(3-naphthalen-1-ylphenyl)anthracene
CID 144703383
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene (CID 174112861) is 9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene is Cc1ccccc1-c1cc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)c2ccccc2c1C.
What is the InChIKey of 9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene?
The InChIKey is SYURUJFYFPYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34/c1-31-14-3-6-19-38(31)45-30-46(40-21-8-7-20-39(40)32(45)2)35-17-13-18-36(29-35)47-41-22-9-11-24-43(41)48(44-25-12-10-23-42(44)47)37-27-26-33-15-4-5-16-34(33)28-37/h3-30H,1-2H3.
What are the key properties of 9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene?
9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene has a molecular weight of 610.80 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 174112861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).