9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine

C325H506N4 — CID 163582771

IUPAC9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(C)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1cc(C)c2ccccc2c1.Cc1cc2ccccc2cc1C.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1cccc(-c2ccncc2)c1.Cc1cccc2c(C)cccc12.Cc1cccc2cc3ccccc3cc12.Cc1cccc2cccc(C)c12.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1-c1ccncc1
InChIInChI=1S/C16H14.3C15H12.4C12H11N.6C12H12.4C11H10.50C2H6/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;50*1-2/h3-10H,1-2H3;3*2-10H,1H3;4*2-9H,1H3;6*3-8H,1-2H3;4*2-8H,1H3;50*1-2H3
InChIKeyGIYKUKHMNFQQBU-UHFFFAOYSA-N
MW4469.65 g/mol
LogP114.38
Rot. Bonds4

About 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine

9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine (PubChem CID 163582771) has the molecular formula C325H506N4 and a molecular weight of 4469.65 g/mol. Its IUPAC name is 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
PubChem CID163582771
Molecular FormulaC325H506N4
Molecular Weight4469.65 g/mol
Exact Mass4465.97
IUPAC Name9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(C)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1cc(C)c2ccccc2c1.Cc1cc2ccccc2cc1C.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1cccc(-c2ccncc2)c1.Cc1cccc2c(C)cccc12.Cc1cccc2cc3ccccc3cc12.Cc1cccc2cccc(C)c12.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1-c1ccncc1
InChIInChI=1S/C16H14.3C15H12.4C12H11N.6C12H12.4C11H10.50C2H6/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;50*1-2/h3-10H,1-2H3;3*2-10H,1H3;4*2-9H,1H3;6*3-8H,1-2H3;4*2-8H,1H3;50*1-2H3
InChIKeyGIYKUKHMNFQQBU-UHFFFAOYSA-N
XLogP114.38
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms329
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004469.65
LogP ≤ 5114.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine with MolForge

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Related Compounds

1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene
CID 161461393
ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 159010834
1,2-bis(2-methylphenyl)benzene;1,2-bis(3-methylphenyl)benzene;1,4-bis(2-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1-methyl-2-[2-(3-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene
CID 157445243
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 162048373
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(3-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;2-methyl-6-(2-methylphenyl)naphthalene;2-methyl-6-(3-methylphenyl)naphthalene;2-methyl-6-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157271950
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
1,5-dimethylanthracene;9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;9,10-dimethylphenanthrene;2,9-dimethyl-1,10-phenanthroline;2,8-dimethylquinoline;2,7-dimethyltriphenylene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162252070
1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine
CID 157170679
9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene
CID 159147015
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;toluene
CID 158589771
1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 157418786

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine?
The IUPAC name of 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine (CID 163582771) is 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine.
What is the SMILES notation for 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine?
The canonical SMILES for 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(C)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1cc(C)c2ccccc2c1.Cc1cc2ccccc2cc1C.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1cccc(-c2ccncc2)c1.Cc1cccc2c(C)cccc12.Cc1cccc2cc3ccccc3cc12.Cc1cccc2cccc(C)c12.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1-c1ccncc1.
What is the InChIKey of 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine?
The InChIKey is GIYKUKHMNFQQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.3C15H12.4C12H11N.6C12H12.4C11H10.50C2H6/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;50*1-2/h3-10H,1-2H3;3*2-10H,1H3;4*2-9H,1H3;6*3-8H,1-2H3;4*2-8H,1H3;50*1-2H3.
What are the key properties of 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine?
9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine has a molecular weight of 4469.65 g/mol, XLogP of 114.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine is sourced from PubChem (CID 163582771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).