1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)

C40H44 — CID 159825938

IUPAC1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
SMILESCc1cc(C)c2c(C)cc(C)cc2c1.Cc1cc(C)c2c(C)cc(C)cc2c1.Cc1cccc2cccc(C)c12
InChIInChI=1S/2C14H16.C12H12/c2*1-9-5-11(3)14-12(4)6-10(2)8-13(14)7-9;1-9-5-3-7-11-8-4-6-10(2)12(9)11/h2*5-8H,1-4H3;3-8H,1-2H3
InChIKeyNMVIPJNNJLTQCY-UHFFFAOYSA-N
MW524.79 g/mol
LogP11.60
Rot. Bonds

About 1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)

1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene) (PubChem CID 159825938) has the molecular formula C40H44 and a molecular weight of 524.79 g/mol. Its IUPAC name is 1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene).

Molecular Properties

Compound Name1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
PubChem CID159825938
Molecular FormulaC40H44
Molecular Weight524.79 g/mol
Exact Mass524.34
IUPAC Name1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
SMILESCc1cc(C)c2c(C)cc(C)cc2c1.Cc1cc(C)c2c(C)cc(C)cc2c1.Cc1cccc2cccc(C)c12
InChIInChI=1S/2C14H16.C12H12/c2*1-9-5-11(3)14-12(4)6-10(2)8-13(14)7-9;1-9-5-3-7-11-8-4-6-10(2)12(9)11/h2*5-8H,1-4H3;3-8H,1-2H3
InChIKeyNMVIPJNNJLTQCY-UHFFFAOYSA-N
XLogP11.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.79
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,8-dimethylnaphthalene;ethane
CID 91447117
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
4,5-dimethylphenanthrene;ethane
CID 143983787
1,3,5,10-tetramethylanthracene
CID 163863681
1-bromo-8-methylnaphthalene
CID 4250949
8-(8-methylnaphthalen-1-yl)naphthalen-1-ol
CID 157321941
1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
2,9,10-trimethylperylene
CID 58193405
pyrene;1,3-xylene
CID 174892551
4-methyloctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,22,24-pentadecaene
CID 101455015
1,3,10-trimethylphenanthrene
CID 12996190
1,3-dimethylnaphthalene;ethane
CID 145447624

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)?
The IUPAC name of 1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene) (CID 159825938) is 1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene).
What is the SMILES notation for 1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)?
The canonical SMILES for 1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene) is Cc1cc(C)c2c(C)cc(C)cc2c1.Cc1cc(C)c2c(C)cc(C)cc2c1.Cc1cccc2cccc(C)c12.
What is the InChIKey of 1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)?
The InChIKey is NMVIPJNNJLTQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.C12H12/c2*1-9-5-11(3)14-12(4)6-10(2)8-13(14)7-9;1-9-5-3-7-11-8-4-6-10(2)12(9)11/h2*5-8H,1-4H3;3-8H,1-2H3.
What are the key properties of 1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)?
1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene) has a molecular weight of 524.79 g/mol, XLogP of 11.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene) is sourced from PubChem (CID 159825938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).