2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene

C76H82 — CID 158776029

IUPAC2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene
SMILESCc1cc(C)c(C)cc1C.Cc1cc(C)c2ccc3c(C)cc(C)c4ccc1c2c43.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccc2c(C)c(C)ccc2c1C.Cc1ccc2c(C)c3cc(C)ccc3c(C)c2c1
InChIInChI=1S/C20H18.C18H18.2C14H16.C10H14/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15(11)19(16)20(17)18;1-11-5-7-15-14(4)18-10-12(2)6-8-16(18)13(3)17(15)9-11;1-9-5-7-14-12(4)10(2)6-8-13(14)11(9)3;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2/h5-10H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;5-6H,1-4H3
InChIKeyIQMCQLBYRBSJOQ-UHFFFAOYSA-N
MW995.49 g/mol
LogP22.11
Rot. Bonds

About 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene

2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene (PubChem CID 158776029) has the molecular formula C76H82 and a molecular weight of 995.49 g/mol. Its IUPAC name is 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene.

Molecular Properties

Compound Name2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene
PubChem CID158776029
Molecular FormulaC76H82
Molecular Weight995.49 g/mol
Exact Mass994.64
IUPAC Name2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene
SMILESCc1cc(C)c(C)cc1C.Cc1cc(C)c2ccc3c(C)cc(C)c4ccc1c2c43.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccc2c(C)c(C)ccc2c1C.Cc1ccc2c(C)c3cc(C)ccc3c(C)c2c1
InChIInChI=1S/C20H18.C18H18.2C14H16.C10H14/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15(11)19(16)20(17)18;1-11-5-7-15-14(4)18-10-12(2)6-8-16(18)13(3)17(15)9-11;1-9-5-7-14-12(4)10(2)6-8-13(14)11(9)3;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2/h5-10H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;5-6H,1-4H3
InChIKeyIQMCQLBYRBSJOQ-UHFFFAOYSA-N
XLogP22.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.49
LogP ≤ 522.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene 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

1,2,4,6-tetramethylnaphthalene
CID 54387778
2-methoxy-1,4,6-trimethylnaphthalene
CID 23166352
bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene);bis(1,2,6-trimethylnaphthalene)
CID 161343592
2,9,10-trimethylphenanthrene
CID 11345039
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,5,6-tetramethylnaphthalene;bis(1,2,4-trimethylbenzene);bis(1,2,6-trimethylnaphthalene)
CID 158674501
1,2,4-trimethylbenzene
CID 7247
1,4,5,8-tetramethylphenanthrene
CID 14619660
1,2,3,4,5,6,8-heptamethylpyrene
CID 59510141
2,9-dimethyl-10-phenylanthracene
CID 58435289
ethane;2-methoxy-1-(2-methoxy-4,6-dimethylnaphthalen-1-yl)-4,6-dimethylnaphthalene
CID 145357055
3,4,6-trimethyl-9H-carbazole
CID 610656
3,6,8-trimethylpyren-1-ol
CID 154487222

Frequently Asked Questions

What is the IUPAC name of 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene?
The IUPAC name of 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene (CID 158776029) is 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene.
What is the SMILES notation for 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene?
The canonical SMILES for 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene is Cc1cc(C)c(C)cc1C.Cc1cc(C)c2ccc3c(C)cc(C)c4ccc1c2c43.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccc2c(C)c(C)ccc2c1C.Cc1ccc2c(C)c3cc(C)ccc3c(C)c2c1.
What is the InChIKey of 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene?
The InChIKey is IQMCQLBYRBSJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C18H18.2C14H16.C10H14/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15(11)19(16)20(17)18;1-11-5-7-15-14(4)18-10-12(2)6-8-16(18)13(3)17(15)9-11;1-9-5-7-14-12(4)10(2)6-8-13(14)11(9)3;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2/h5-10H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;5-6H,1-4H3.
What are the key properties of 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene?
2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene has a molecular weight of 995.49 g/mol, XLogP of 22.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,10-tetramethylanthracene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;1,3,6,8-tetramethylpyrene is sourced from PubChem (CID 158776029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).