2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)

C80H70 — CID 159448602

IUPAC2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)
SMILESCc1ccc2c(C)c3ccccc3cc2c1.Cc1ccc2c(C)c3ccccc3cc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1ccc2cc3ccccc3c(C)c2c1.Cc1ccc2cc3ccccc3c(C)c2c1
InChIInChI=1S/5C16H14/c1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;2*1-11-7-8-16-12(2)15-6-4-3-5-13(15)10-14(16)9-11;2*1-11-7-8-14-10-13-5-3-4-6-15(13)12(2)16(14)9-11/h5*3-10H,1-2H3
InChIKeyLTBQLTGNWGYWIO-UHFFFAOYSA-N
MW1031.44 g/mol
LogP23.05
Rot. Bonds

About 2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)

2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene) (PubChem CID 159448602) has the molecular formula C80H70 and a molecular weight of 1031.44 g/mol. Its IUPAC name is 2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene).

Molecular Properties

Compound Name2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)
PubChem CID159448602
Molecular FormulaC80H70
Molecular Weight1031.44 g/mol
Exact Mass1030.55
IUPAC Name2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)
SMILESCc1ccc2c(C)c3ccccc3cc2c1.Cc1ccc2c(C)c3ccccc3cc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1ccc2cc3ccccc3c(C)c2c1.Cc1ccc2cc3ccccc3c(C)c2c1
InChIInChI=1S/5C16H14/c1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;2*1-11-7-8-16-12(2)15-6-4-3-5-13(15)10-14(16)9-11;2*1-11-7-8-14-10-13-5-3-4-6-15(13)12(2)16(14)9-11/h5*3-10H,1-2H3
InChIKeyLTBQLTGNWGYWIO-UHFFFAOYSA-N
XLogP23.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.44
LogP ≤ 523.05
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-methylanthracene;2-methylnaphthalene
CID 159699144
2,10-dimethylanthracene;formaldehyde
CID 169199000
5,13-dimethylpentacene;ethane
CID 144696296
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
CID 158097915
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
ethane;9-methylanthracene;naphthalene
CID 161226057
lithium;hydride;9-methylanthracene
CID 174773747
1,4-dimethylanthracene;2,6-dimethylanthracene;9,10-dimethylanthracene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene;ethane
CID 161265902
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2,9-dimethylpentacene
CID 11460950

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)?
The IUPAC name of 2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene) (CID 159448602) is 2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene).
What is the SMILES notation for 2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)?
The canonical SMILES for 2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene) is Cc1ccc2c(C)c3ccccc3cc2c1.Cc1ccc2c(C)c3ccccc3cc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1ccc2cc3ccccc3c(C)c2c1.Cc1ccc2cc3ccccc3c(C)c2c1.
What is the InChIKey of 2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)?
The InChIKey is LTBQLTGNWGYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/5C16H14/c1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;2*1-11-7-8-16-12(2)15-6-4-3-5-13(15)10-14(16)9-11;2*1-11-7-8-14-10-13-5-3-4-6-15(13)12(2)16(14)9-11/h5*3-10H,1-2H3.
What are the key properties of 2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)?
2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene) has a molecular weight of 1031.44 g/mol, XLogP of 23.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene) is sourced from PubChem (CID 159448602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).