3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane

C26H28 — CID 160912845

IUPAC3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane
SMILESC.Cc1c(Cc2cc3ccccc3c(C)c2C)cc2ccccc2c1C
InChIInChI=1S/C25H24.CH4/c1-16-18(3)24-11-7-5-9-20(24)13-22(16)15-23-14-21-10-6-8-12-25(21)19(4)17(23)2;/h5-14H,15H2,1-4H3;1H4
InChIKeySQZZLZBJTJNHRR-UHFFFAOYSA-N
MW340.51 g/mol
LogP7.45
Rot. Bonds2

About 3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane

3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane (PubChem CID 160912845) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane.

Molecular Properties

Compound Name3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane
PubChem CID160912845
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane
SMILESC.Cc1c(Cc2cc3ccccc3c(C)c2C)cc2ccccc2c1C
InChIInChI=1S/C25H24.CH4/c1-16-18(3)24-11-7-5-9-20(24)13-22(16)15-23-14-21-10-6-8-12-25(21)19(4)17(23)2;/h5-14H,15H2,1-4H3;1H4
InChIKeySQZZLZBJTJNHRR-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
33-methyloctacyclo[26.2.2.22,5.26,9.210,13.214,17.118,22.123,27]dotetraconta-1(30),2(42),3,5(41),6(40),7,9(39),10(38),11,13(37),14(36),15,17(35),18(34),19,21,23,25,27(33),28,31-henicosaene
CID 153310612
1,3-bis(bromomethyl)-2-methylnaphthalene
CID 12915336
(1-methylnaphthalen-2-yl)methanol
CID 15054223
benzene;9,10-dimethylphenanthrene;ethane;methane;naphthalene;phenanthrene
CID 158089550
5-methyl-2-(phenanthren-9-ylmethyl)aniline
CID 154946620
4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran
CID 160947244
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681
3-methyl-1-[(3-methylphenanthren-1-yl)methyl]phenanthrene
CID 158013989

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane?
The IUPAC name of 3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane (CID 160912845) is 3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane.
What is the SMILES notation for 3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane?
The canonical SMILES for 3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane is C.Cc1c(Cc2cc3ccccc3c(C)c2C)cc2ccccc2c1C.
What is the InChIKey of 3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane?
The InChIKey is SQZZLZBJTJNHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24.CH4/c1-16-18(3)24-11-7-5-9-20(24)13-22(16)15-23-14-21-10-6-8-12-25(21)19(4)17(23)2;/h5-14H,15H2,1-4H3;1H4.
What are the key properties of 3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane?
3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane has a molecular weight of 340.51 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane is sourced from PubChem (CID 160912845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).