2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene

C130H120F7NS2 — CID 161276272

IUPAC2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene
SMILESCc1c(F)c(F)c(C)c(F)c1F.Cc1cc(C)cc(-c2cccs2)c1.Cc1cc(C)cc(C(F)(F)F)c1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C)cc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12
InChIInChI=1S/C27H20.C20H17N.C14H12S.C12H12S.2C12H12.C9H9F3.C8H6F4.2C8H10/c1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-14-8-10-19-17(12-14)18-13-15(2)9-11-20(18)21(19)16-6-4-3-5-7-16;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-6-10(2)8-11(7-9)12-4-3-5-13-12;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-6-3-7(2)5-8(4-6)9(10,11)12;1-3-5(9)7(11)4(2)8(12)6(3)10;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-16H,1-2H3;3-13H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3-5H,1-2H3;1-2H3;2*3-6H,1-2H3
InChIKeyVEMDETQDHKMSJV-UHFFFAOYSA-N
MW1893.52 g/mol
LogP38.45
Rot. Bonds2

About 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene

2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene (PubChem CID 161276272) has the molecular formula C130H120F7NS2 and a molecular weight of 1893.52 g/mol. Its IUPAC name is 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene
PubChem CID161276272
Molecular FormulaC130H120F7NS2
Molecular Weight1893.52 g/mol
Exact Mass1891.88
IUPAC Name2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene
SMILESCc1c(F)c(F)c(C)c(F)c1F.Cc1cc(C)cc(-c2cccs2)c1.Cc1cc(C)cc(C(F)(F)F)c1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C)cc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12
InChIInChI=1S/C27H20.C20H17N.C14H12S.C12H12S.2C12H12.C9H9F3.C8H6F4.2C8H10/c1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-14-8-10-19-17(12-14)18-13-15(2)9-11-20(18)21(19)16-6-4-3-5-7-16;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-6-10(2)8-11(7-9)12-4-3-5-13-12;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-6-3-7(2)5-8(4-6)9(10,11)12;1-3-5(9)7(11)4(2)8(12)6(3)10;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-16H,1-2H3;3-13H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3-5H,1-2H3;1-2H3;2*3-6H,1-2H3
InChIKeyVEMDETQDHKMSJV-UHFFFAOYSA-N
XLogP38.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001893.52
LogP ≤ 538.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene?
The IUPAC name of 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene (CID 161276272) is 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene?
The canonical SMILES for 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene is Cc1c(F)c(F)c(C)c(F)c1F.Cc1cc(C)cc(-c2cccs2)c1.Cc1cc(C)cc(C(F)(F)F)c1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C)cc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.
What is the InChIKey of 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene?
The InChIKey is VEMDETQDHKMSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20.C20H17N.C14H12S.C12H12S.2C12H12.C9H9F3.C8H6F4.2C8H10/c1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-14-8-10-19-17(12-14)18-13-15(2)9-11-20(18)21(19)16-6-4-3-5-7-16;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-6-10(2)8-11(7-9)12-4-3-5-13-12;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-6-3-7(2)5-8(4-6)9(10,11)12;1-3-5(9)7(11)4(2)8(12)6(3)10;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-16H,1-2H3;3-13H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3-5H,1-2H3;1-2H3;2*3-6H,1-2H3.
What are the key properties of 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene?
2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene has a molecular weight of 1893.52 g/mol, XLogP of 38.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyldibenzothiophene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;3,6-dimethyl-9-phenylcarbazole;2-(3,5-dimethylphenyl)thiophene;2,2'-dimethyl-9,9'-spirobi[fluorene];1,3-dimethyl-5-(trifluoromethyl)benzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 161276272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).