3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole

C86H129NOS — CID 159408346

IUPAC3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2c3ccc(C)cc3n(C)c2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C15H15N.C14H12O.C14H12S.2C10H8.9C2H6.5CH4/c1-10-4-6-12-13-7-5-11(2)9-15(13)16(3)14(12)8-10;2*1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;2*1-2-6-10-8-4-3-7-9(10)5-1;9*1-2;;;;;/h4-9H,1-3H3;2*3-8H,1-2H3;2*1-8H;9*1-2H3;5*1H4
InChIKeyLOGGKFHDTJDHPG-UHFFFAOYSA-N
MW1225.05 g/mol
LogP30.92
Rot. Bonds

About 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole

3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole (PubChem CID 159408346) has the molecular formula C86H129NOS and a molecular weight of 1225.05 g/mol. Its IUPAC name is 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole.

Molecular Properties

Compound Name3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole
PubChem CID159408346
Molecular FormulaC86H129NOS
Molecular Weight1225.05 g/mol
Exact Mass1223.98
IUPAC Name3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2c3ccc(C)cc3n(C)c2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C15H15N.C14H12O.C14H12S.2C10H8.9C2H6.5CH4/c1-10-4-6-12-13-7-5-11(2)9-15(13)16(3)14(12)8-10;2*1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;2*1-2-6-10-8-4-3-7-9(10)5-1;9*1-2;;;;;/h4-9H,1-3H3;2*3-8H,1-2H3;2*1-8H;9*1-2H3;5*1H4
InChIKeyLOGGKFHDTJDHPG-UHFFFAOYSA-N
XLogP30.92
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.05
LogP ≤ 530.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9-phenylcarbazole;3,6-dimethyl-9-phenylcarbazole;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
CID 159765295
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
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9-methylphenanthro[1,2-b][1]benzofuran
CID 158951107
5,11-diphenylindolo[3,2-b]carbazole;11-methyl-[1]benzofuro[3,2-b]carbazole;5-methyl-11-phenylindolo[3,2-b]carbazole;11-phenyl-[1]benzofuro[3,2-b]carbazole;11-phenyl-[1]benzothiolo[3,2-b]carbazole
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2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
CID 126631809
2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,5-dimethylfuran;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;2,5-dimethylthiophene;ethane
CID 157262427
tetrakis(dibenzofuran);tris(dibenzothiophene);ethane;toluene
CID 158105670
6-methyl-3,11-dithiapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,12,14,16,18-nonaene
CID 118333927
1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene
CID 158508614

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole?
The IUPAC name of 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole (CID 159408346) is 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole.
What is the SMILES notation for 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole?
The canonical SMILES for 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole is C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2c3ccc(C)cc3n(C)c2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole?
The InChIKey is LOGGKFHDTJDHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.C14H12O.C14H12S.2C10H8.9C2H6.5CH4/c1-10-4-6-12-13-7-5-11(2)9-15(13)16(3)14(12)8-10;2*1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;2*1-2-6-10-8-4-3-7-9(10)5-1;9*1-2;;;;;/h4-9H,1-3H3;2*3-8H,1-2H3;2*1-8H;9*1-2H3;5*1H4.
What are the key properties of 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole?
3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole has a molecular weight of 1225.05 g/mol, XLogP of 30.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole is sourced from PubChem (CID 159408346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).