2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene

C34H28 — CID 145465634

IUPAC2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene
SMILESCc1ccc2cc(-c3ccc(CCc4ccc5cc6cc(C)ccc6cc5c4)cc3)ccc2c1
InChIInChI=1S/C34H28/c1-23-3-10-30-20-29(16-15-28(30)17-23)27-12-7-25(8-13-27)5-6-26-9-14-32-21-33-18-24(2)4-11-31(33)22-34(32)19-26/h3-4,7-22H,5-6H2,1-2H3
InChIKeyNNMZXRQJIXXVGX-UHFFFAOYSA-N
MW436.60 g/mol
LogP9.22
Rot. Bonds4

About 2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene

2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene (PubChem CID 145465634) has the molecular formula C34H28 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene.

Molecular Properties

Compound Name2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene
PubChem CID145465634
Molecular FormulaC34H28
Molecular Weight436.60 g/mol
Exact Mass436.22
IUPAC Name2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene
SMILESCc1ccc2cc(-c3ccc(CCc4ccc5cc6cc(C)ccc6cc5c4)cc3)ccc2c1
InChIInChI=1S/C34H28/c1-23-3-10-30-20-29(16-15-28(30)17-23)27-12-7-25(8-13-27)5-6-26-9-14-32-21-33-18-24(2)4-11-31(33)22-34(32)19-26/h3-4,7-22H,5-6H2,1-2H3
InChIKeyNNMZXRQJIXXVGX-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 59.22
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

2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
2-methyl-7-propylnaphthalene
CID 59912073
2,9-dimethylpentacene
CID 11460950
2,6-bis(6-ethylnaphthalen-2-yl)anthracene
CID 59141275
2-phenyl-6-[2-(4-prop-1-en-2-ylphenyl)ethyl]naphthalene
CID 58428339
methane;2-methyl-6-phenylnaphthalene
CID 144703390
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
2,6-dimethylnaphthalene;propane
CID 142191183
2-methyl-6-[3-(6-methylnaphthalen-2-yl)phenyl]naphthalene
CID 58943209
2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
CID 142943343
7,20-bis(4-methylphenyl)hexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene?
The IUPAC name of 2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene (CID 145465634) is 2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene.
What is the SMILES notation for 2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene?
The canonical SMILES for 2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene is Cc1ccc2cc(-c3ccc(CCc4ccc5cc6cc(C)ccc6cc5c4)cc3)ccc2c1.
What is the InChIKey of 2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene?
The InChIKey is NNMZXRQJIXXVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28/c1-23-3-10-30-20-29(16-15-28(30)17-23)27-12-7-25(8-13-27)5-6-26-9-14-32-21-33-18-24(2)4-11-31(33)22-34(32)19-26/h3-4,7-22H,5-6H2,1-2H3.
What are the key properties of 2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene?
2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene has a molecular weight of 436.60 g/mol, XLogP of 9.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene is sourced from PubChem (CID 145465634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).