9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane

C29H30 — CID 160811650

IUPAC9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
SMILESC.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(C)c2ccccc12
InChIInChI=1S/C16H14.C12H12.CH4/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-9-7-8-10(2)12-6-4-3-5-11(9)12;/h3-10H,1-2H3;3-8H,1-2H3;1H4
InChIKeySEJIWHQETVXTRK-UHFFFAOYSA-N
MW378.56 g/mol
LogP8.70
Rot. Bonds

About 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane

9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane (PubChem CID 160811650) has the molecular formula C29H30 and a molecular weight of 378.56 g/mol. Its IUPAC name is 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane.

Molecular Properties

Compound Name9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
PubChem CID160811650
Molecular FormulaC29H30
Molecular Weight378.56 g/mol
Exact Mass378.23
IUPAC Name9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
SMILESC.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(C)c2ccccc12
InChIInChI=1S/C16H14.C12H12.CH4/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-9-7-8-10(2)12-6-4-3-5-11(9)12;/h3-10H,1-2H3;3-8H,1-2H3;1H4
InChIKeySEJIWHQETVXTRK-UHFFFAOYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1,2,5-trimethylnaphthalene
CID 142394206
ethane;2,3,9,10-tetramethylanthracene
CID 143843330
2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene
CID 138558667
1,5-dimethylnaphthalene
CID 162159355
9-methyl-10-(4-methylnaphthalen-1-yl)sulfonylanthracene
CID 163837804
CID 156771934
CID 156771934
CID 18534456
CID 18534456
(10-methylanthracen-9-yl)phosphane
CID 163731977
CID 11133612
CID 11133612
9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,7-dimethylpyrene;1-methyl-4-(4-methylphenyl)benzene
CID 159442583
5,6,7,12,13,14-hexamethylpentacene
CID 20682938
2-iodo-1,4-dimethylnaphthalene
CID 70312090

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane?
The IUPAC name of 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane (CID 160811650) is 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane.
What is the SMILES notation for 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane?
The canonical SMILES for 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane is C.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(C)c2ccccc12.
What is the InChIKey of 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane?
The InChIKey is SEJIWHQETVXTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C12H12.CH4/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-9-7-8-10(2)12-6-4-3-5-11(9)12;/h3-10H,1-2H3;3-8H,1-2H3;1H4.
What are the key properties of 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane?
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane has a molecular weight of 378.56 g/mol, XLogP of 8.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane is sourced from PubChem (CID 160811650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).