2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene

C72H64OS — CID 158112423

IUPAC2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1
InChIInChI=1S/C27H22.C17H18.C14H12O.C14H12S/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h3-18H,1-2H3;5-10H,1-4H3;2*3-8H,1-2H3
InChIKeyFQPDXDFDLXTUIN-UHFFFAOYSA-N
MW977.37 g/mol
LogP20.15
Rot. Bonds2

About 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene

2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene (PubChem CID 158112423) has the molecular formula C72H64OS and a molecular weight of 977.37 g/mol. Its IUPAC name is 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene.

Molecular Properties

Compound Name2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene
PubChem CID158112423
Molecular FormulaC72H64OS
Molecular Weight977.37 g/mol
Exact Mass976.47
IUPAC Name2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1
InChIInChI=1S/C27H22.C17H18.C14H12O.C14H12S/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h3-18H,1-2H3;5-10H,1-4H3;2*3-8H,1-2H3
InChIKeyFQPDXDFDLXTUIN-UHFFFAOYSA-N
XLogP20.15
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.37
LogP ≤ 520.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 157349441
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
9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9,9-diphenylfluorene;1-methyl-2-phenylbenzene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 159801697
7,7,9-trimethylfluoreno[2,3-b][1]benzothiole
CID 129267057
7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
CID 129267055
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159548995
1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
CID 159210601
2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene
CID 161458351
N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 166012362
2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene
CID 161470494
N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N,N-bis(2-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 160626723
methane;2-methyl-9,9-diphenylfluorene
CID 144583572

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene?
The IUPAC name of 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene (CID 158112423) is 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene.
What is the SMILES notation for 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene?
The canonical SMILES for 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene is Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.
What is the InChIKey of 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene?
The InChIKey is FQPDXDFDLXTUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22.C17H18.C14H12O.C14H12S/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h3-18H,1-2H3;5-10H,1-4H3;2*3-8H,1-2H3.
What are the key properties of 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene?
2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene has a molecular weight of 977.37 g/mol, XLogP of 20.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene is sourced from PubChem (CID 158112423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).