1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene

C48H42 — CID 142867953

IUPAC1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene
SMILESCc1ccc(-c2ccc(C(c3ccccc3)c3cccc4ccccc34)cc2)cc1.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/C30H24.C11H10.C7H8/c1-22-14-16-23(17-15-22)24-18-20-27(21-19-24)30(26-9-3-2-4-10-26)29-13-7-11-25-8-5-6-12-28(25)29;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7/h2-21,30H,1H3;2-8H,1H3;2-6H,1H3
InChIKeyXEZYLYHUKHKMTA-UHFFFAOYSA-N
MW618.86 g/mol
LogP13.14
Rot. Bonds4

About 1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene

1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene (PubChem CID 142867953) has the molecular formula C48H42 and a molecular weight of 618.86 g/mol. Its IUPAC name is 1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene.

Molecular Properties

Compound Name1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene
PubChem CID142867953
Molecular FormulaC48H42
Molecular Weight618.86 g/mol
Exact Mass618.33
IUPAC Name1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene
SMILESCc1ccc(-c2ccc(C(c3ccccc3)c3cccc4ccccc34)cc2)cc1.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/C30H24.C11H10.C7H8/c1-22-14-16-23(17-15-22)24-18-20-27(21-19-24)30(26-9-3-2-4-10-26)29-13-7-11-25-8-5-6-12-28(25)29;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7/h2-21,30H,1H3;2-8H,1H3;2-6H,1H3
InChIKeyXEZYLYHUKHKMTA-UHFFFAOYSA-N
XLogP13.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.86
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene?
The IUPAC name of 1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene (CID 142867953) is 1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene.
What is the SMILES notation for 1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene?
The canonical SMILES for 1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene is Cc1ccc(-c2ccc(C(c3ccccc3)c3cccc4ccccc34)cc2)cc1.Cc1cccc2ccccc12.Cc1ccccc1.
What is the InChIKey of 1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene?
The InChIKey is XEZYLYHUKHKMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24.C11H10.C7H8/c1-22-14-16-23(17-15-22)24-18-20-27(21-19-24)30(26-9-3-2-4-10-26)29-13-7-11-25-8-5-6-12-28(25)29;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7/h2-21,30H,1H3;2-8H,1H3;2-6H,1H3.
What are the key properties of 1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene?
1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene has a molecular weight of 618.86 g/mol, XLogP of 13.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene is sourced from PubChem (CID 142867953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).