1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene

C127H112N2O3S2 — CID 157347388

IUPAC1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene
SMILESCc1ccc2c(c1C)c1ccccc1n2-c1ccccc1.Cc1ccc2oc3ccccc3c2c1C.Cc1ccc2sc3ccccc3c2c1C.Cc1cccc2c1-c1c(C)cccc1C2(C)C.Cc1cccc2c1c1c(C)cccc1n2-c1ccccc1.Cc1cccc2oc3cccc(C)c3c12.Cc1cccc2oc3cccc(C)c3c12.Cc1cccc2sc3cccc(C)c3c12
InChIInChI=1S/2C20H17N.C17H18.3C14H12O.2C14H12S/c1-14-8-6-12-17-19(14)20-15(2)9-7-13-18(20)21(17)16-10-4-3-5-11-16;1-14-12-13-19-20(15(14)2)17-10-6-7-11-18(17)21(19)16-8-4-3-5-9-16;1-11-7-5-9-13-15(11)16-12(2)8-6-10-14(16)17(13,3)4;2*1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15-11;1-9-7-8-13-14(10(9)2)11-5-3-4-6-12(11)15-13;1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15-11;1-9-7-8-13-14(10(9)2)11-5-3-4-6-12(11)15-13/h2*3-13H,1-2H3;5-10H,1-4H3;5*3-8H,1-2H3
InChIKeyBHDBEVXKGCMTFF-UHFFFAOYSA-N
MW1778.44 g/mol
LogP37.36
Rot. Bonds2

About 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene

1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene (PubChem CID 157347388) has the molecular formula C127H112N2O3S2 and a molecular weight of 1778.44 g/mol. Its IUPAC name is 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene.

Molecular Properties

Compound Name1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene
PubChem CID157347388
Molecular FormulaC127H112N2O3S2
Molecular Weight1778.44 g/mol
Exact Mass1776.81
IUPAC Name1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene
SMILESCc1ccc2c(c1C)c1ccccc1n2-c1ccccc1.Cc1ccc2oc3ccccc3c2c1C.Cc1ccc2sc3ccccc3c2c1C.Cc1cccc2c1-c1c(C)cccc1C2(C)C.Cc1cccc2c1c1c(C)cccc1n2-c1ccccc1.Cc1cccc2oc3cccc(C)c3c12.Cc1cccc2oc3cccc(C)c3c12.Cc1cccc2sc3cccc(C)c3c12
InChIInChI=1S/2C20H17N.C17H18.3C14H12O.2C14H12S/c1-14-8-6-12-17-19(14)20-15(2)9-7-13-18(20)21(17)16-10-4-3-5-11-16;1-14-12-13-19-20(15(14)2)17-10-6-7-11-18(17)21(19)16-8-4-3-5-9-16;1-11-7-5-9-13-15(11)16-12(2)8-6-10-14(16)17(13,3)4;2*1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15-11;1-9-7-8-13-14(10(9)2)11-5-3-4-6-12(11)15-13;1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15-11;1-9-7-8-13-14(10(9)2)11-5-3-4-6-12(11)15-13/h2*3-13H,1-2H3;5-10H,1-4H3;5*3-8H,1-2H3
InChIKeyBHDBEVXKGCMTFF-UHFFFAOYSA-N
XLogP37.36
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001778.44
LogP ≤ 537.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene?
The IUPAC name of 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene (CID 157347388) is 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene.
What is the SMILES notation for 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene?
The canonical SMILES for 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene is Cc1ccc2c(c1C)c1ccccc1n2-c1ccccc1.Cc1ccc2oc3ccccc3c2c1C.Cc1ccc2sc3ccccc3c2c1C.Cc1cccc2c1-c1c(C)cccc1C2(C)C.Cc1cccc2c1c1c(C)cccc1n2-c1ccccc1.Cc1cccc2oc3cccc(C)c3c12.Cc1cccc2oc3cccc(C)c3c12.Cc1cccc2sc3cccc(C)c3c12.
What is the InChIKey of 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene?
The InChIKey is BHDBEVXKGCMTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17N.C17H18.3C14H12O.2C14H12S/c1-14-8-6-12-17-19(14)20-15(2)9-7-13-18(20)21(17)16-10-4-3-5-11-16;1-14-12-13-19-20(15(14)2)17-10-6-7-11-18(17)21(19)16-8-4-3-5-9-16;1-11-7-5-9-13-15(11)16-12(2)8-6-10-14(16)17(13,3)4;2*1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15-11;1-9-7-8-13-14(10(9)2)11-5-3-4-6-12(11)15-13;1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15-11;1-9-7-8-13-14(10(9)2)11-5-3-4-6-12(11)15-13/h2*3-13H,1-2H3;5-10H,1-4H3;5*3-8H,1-2H3.
What are the key properties of 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene?
1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene has a molecular weight of 1778.44 g/mol, XLogP of 37.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyldibenzofuran;bis(1,9-dimethyldibenzofuran);1,2-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;3,4-dimethyl-9-phenylcarbazole;4,5-dimethyl-9-phenylcarbazole;4,5,9,9-tetramethylfluorene is sourced from PubChem (CID 157347388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).