9,10-dimethylanthracene;bis(9-methylanthracene)

C46H38 — CID 159714317

IUPAC9,10-dimethylanthracene;bis(9-methylanthracene)
SMILESCc1c2ccccc2c(C)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H14.2C15H12/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;2*1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h3-10H,1-2H3;2*2-10H,1H3
InChIKeyMZFSEQJKPGDLGL-UHFFFAOYSA-N
MW590.81 g/mol
LogP13.21
Rot. Bonds

About 9,10-dimethylanthracene;bis(9-methylanthracene)

9,10-dimethylanthracene;bis(9-methylanthracene) (PubChem CID 159714317) has the molecular formula C46H38 and a molecular weight of 590.81 g/mol. Its IUPAC name is 9,10-dimethylanthracene;bis(9-methylanthracene).

Molecular Properties

Compound Name9,10-dimethylanthracene;bis(9-methylanthracene)
PubChem CID159714317
Molecular FormulaC46H38
Molecular Weight590.81 g/mol
Exact Mass590.30
IUPAC Name9,10-dimethylanthracene;bis(9-methylanthracene)
SMILESCc1c2ccccc2c(C)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H14.2C15H12/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;2*1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h3-10H,1-2H3;2*2-10H,1H3
InChIKeyMZFSEQJKPGDLGL-UHFFFAOYSA-N
XLogP13.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.81
LogP ≤ 513.21
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;naphthalene
CID 142881908
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
5,13-dimethylpentacene;ethane
CID 144696296
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
9-methylanthracene;2-methylnaphthalene
CID 159699144
anthracene;benzene;ethane;tris(9-methylanthracene);pyrene
CID 158651638
9-methylanthracene;2-methylthiophene
CID 143060558
2,10-dimethylanthracene;formaldehyde
CID 169199000
2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)
CID 159448602
6,13-dimethylpentacene;ethane
CID 123724624
9-methylanthracen-1-amine
CID 23131270

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylanthracene;bis(9-methylanthracene)?
The IUPAC name of 9,10-dimethylanthracene;bis(9-methylanthracene) (CID 159714317) is 9,10-dimethylanthracene;bis(9-methylanthracene).
What is the SMILES notation for 9,10-dimethylanthracene;bis(9-methylanthracene)?
The canonical SMILES for 9,10-dimethylanthracene;bis(9-methylanthracene) is Cc1c2ccccc2c(C)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9,10-dimethylanthracene;bis(9-methylanthracene)?
The InChIKey is MZFSEQJKPGDLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.2C15H12/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;2*1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h3-10H,1-2H3;2*2-10H,1H3.
What are the key properties of 9,10-dimethylanthracene;bis(9-methylanthracene)?
9,10-dimethylanthracene;bis(9-methylanthracene) has a molecular weight of 590.81 g/mol, XLogP of 13.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylanthracene;bis(9-methylanthracene) is sourced from PubChem (CID 159714317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).