1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene

C117H130N10 — CID 162125904

IUPAC1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene
SMILESCC.CC.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nn1.c1ccc2ccccc2c1
InChIInChI=1S/C20H18.C16H14.C15H14.C14H14.C10H8.C8H10.C7H9N.3C6H8N2.C5H7N3.2C2H6/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-4-3-6-5(2)8-7-4;2*1-2/h3-14H,1-2H3;3-10H,1-2H3;3-8H,9H2,1-2H3;3-10H,1-2H3;1-8H;3-6H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3;3H,1-2H3;2*1-2H3
InChIKeyZIAFNXQKEUBHKS-UHFFFAOYSA-N
MW1676.40 g/mol
LogP30.76
Rot. Bonds3

About 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene

1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene (PubChem CID 162125904) has the molecular formula C117H130N10 and a molecular weight of 1676.40 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene.

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene
PubChem CID162125904
Molecular FormulaC117H130N10
Molecular Weight1676.40 g/mol
Exact Mass1675.05
IUPAC Name1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene
SMILESCC.CC.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nn1.c1ccc2ccccc2c1
InChIInChI=1S/C20H18.C16H14.C15H14.C14H14.C10H8.C8H10.C7H9N.3C6H8N2.C5H7N3.2C2H6/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-4-3-6-5(2)8-7-4;2*1-2/h3-14H,1-2H3;3-10H,1-2H3;3-8H,9H2,1-2H3;3-10H,1-2H3;1-8H;3-6H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3;3H,1-2H3;2*1-2H3
InChIKeyZIAFNXQKEUBHKS-UHFFFAOYSA-N
XLogP30.76
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001676.40
LogP ≤ 530.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene with MolForge

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Related Compounds

1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 163621135
9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole
CID 158525164
bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 158263629
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 159931910
2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole
CID 142855748
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;ethane
CID 159686931
2-methyl-5-[4-[10-[4-(6-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642449
3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070
2,7-dimethylphenanthrene;ethane
CID 91503011
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene
CID 159823913
5-methyl-2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]pyridine
CID 134531244

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene?
The IUPAC name of 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene (CID 162125904) is 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene.
What is the SMILES notation for 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene?
The canonical SMILES for 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene is CC.CC.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nn1.c1ccc2ccccc2c1.
What is the InChIKey of 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene?
The InChIKey is ZIAFNXQKEUBHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C16H14.C15H14.C14H14.C10H8.C8H10.C7H9N.3C6H8N2.C5H7N3.2C2H6/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-4-3-6-5(2)8-7-4;2*1-2/h3-14H,1-2H3;3-10H,1-2H3;3-8H,9H2,1-2H3;3-10H,1-2H3;1-8H;3-6H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3;3H,1-2H3;2*1-2H3.
What are the key properties of 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene?
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene has a molecular weight of 1676.40 g/mol, XLogP of 30.76, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene is sourced from PubChem (CID 162125904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).