6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene

C45H40 — CID 143081983

IUPAC6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
SMILESCc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.Cc1ccc2c(c1)C=CCC2.Cc1ccccc1
InChIInChI=1S/C27H20.C11H12.C7H8/c1-19-23-11-5-7-13-25(23)27(26-14-8-6-12-24(19)26)22-17-15-21(16-18-22)20-9-3-2-4-10-20;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7/h2-18H,1H3;3,5-8H,2,4H2,1H3;2-6H,1H3
InChIKeyFGSKJSICDQSYML-UHFFFAOYSA-N
MW580.82 g/mol
LogP12.58
Rot. Bonds2

About 6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene

6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene (PubChem CID 143081983) has the molecular formula C45H40 and a molecular weight of 580.82 g/mol. Its IUPAC name is 6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene.

Molecular Properties

Compound Name6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
PubChem CID143081983
Molecular FormulaC45H40
Molecular Weight580.82 g/mol
Exact Mass580.31
IUPAC Name6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
SMILESCc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.Cc1ccc2c(c1)C=CCC2.Cc1ccccc1
InChIInChI=1S/C27H20.C11H12.C7H8/c1-19-23-11-5-7-13-25(23)27(26-14-8-6-12-24(19)26)22-17-15-21(16-18-22)20-9-3-2-4-10-20;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7/h2-18H,1H3;3,5-8H,2,4H2,1H3;2-6H,1H3
InChIKeyFGSKJSICDQSYML-UHFFFAOYSA-N
XLogP12.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.82
LogP ≤ 512.58
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-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
CID 168993984
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143494695
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-[4-methyl-3-(3-methyl-5,6-dihydronaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)anthracene
CID 144703495
2,9-dimethyl-10-phenylanthracene
CID 58435289
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
2-[10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 155714690
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
10-methyl-9-(4-methylphenyl)-1,2-dihydroanthracene
CID 143123986
3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine
CID 88554453
7-methyl-10-phenyl-1,2-dihydroanthracene
CID 142428670
9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene
CID 159243819

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene?
The IUPAC name of 6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene (CID 143081983) is 6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene.
What is the SMILES notation for 6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene?
The canonical SMILES for 6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene is Cc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.Cc1ccc2c(c1)C=CCC2.Cc1ccccc1.
What is the InChIKey of 6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene?
The InChIKey is FGSKJSICDQSYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20.C11H12.C7H8/c1-19-23-11-5-7-13-25(23)27(26-14-8-6-12-24(19)26)22-17-15-21(16-18-22)20-9-3-2-4-10-20;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7/h2-18H,1H3;3,5-8H,2,4H2,1H3;2-6H,1H3.
What are the key properties of 6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene?
6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene has a molecular weight of 580.82 g/mol, XLogP of 12.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene is sourced from PubChem (CID 143081983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).