2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene

C45H38 — CID 143494695

IUPAC2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
SMILESCc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.Cc1ccc2ccccc2c1.Cc1ccccc1
InChIInChI=1S/C27H20.C11H10.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;2-8H,1H3;2-6H,1H3
InChIKeyXCTNZQBDUDQHOQ-UHFFFAOYSA-N
MW578.80 g/mol
LogP12.78
Rot. Bonds2

About 2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene

2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene (PubChem CID 143494695) has the molecular formula C45H38 and a molecular weight of 578.80 g/mol. Its IUPAC name is 2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene.

Molecular Properties

Compound Name2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
PubChem CID143494695
Molecular FormulaC45H38
Molecular Weight578.80 g/mol
Exact Mass578.30
IUPAC Name2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
SMILESCc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.Cc1ccc2ccccc2c1.Cc1ccccc1
InChIInChI=1S/C27H20.C11H10.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;2-8H,1H3;2-6H,1H3
InChIKeyXCTNZQBDUDQHOQ-UHFFFAOYSA-N
XLogP12.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 512.78
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-methyl-10-phenylanthracene;1-[3-(3-methylphenyl)-5-naphthalen-1-ylphenyl]naphthalene;1-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]naphthalene;2-[3-(3-methylphenyl)-5-naphthalen-2-ylphenyl]naphthalene;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]naphthalene
CID 158361137
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
CID 161098980
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
2,9-dimethyl-10-phenylanthracene
CID 58435289
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
2,5-dimethyl-12-phenyltetracene
CID 160669382
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229

Frequently Asked Questions

What is the IUPAC name of 2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene?
The IUPAC name of 2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene (CID 143494695) is 2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene.
What is the SMILES notation for 2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene?
The canonical SMILES for 2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene is Cc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.Cc1ccc2ccccc2c1.Cc1ccccc1.
What is the InChIKey of 2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene?
The InChIKey is XCTNZQBDUDQHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20.C11H10.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;2-8H,1H3;2-6H,1H3.
What are the key properties of 2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene?
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene has a molecular weight of 578.80 g/mol, XLogP of 12.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene is sourced from PubChem (CID 143494695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).