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

C130H118N2O2S2 — CID 159765295

IUPAC2,8-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
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2c3ccc(C)cc3n(-c3ccccc3)c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1
InChIInChI=1S/2C20H17N.2C17H18.2C14H12O.2C14H12S/c1-14-8-10-19-17(12-14)18-13-15(2)9-11-20(18)21(19)16-6-4-3-5-7-16;1-14-8-10-17-18-11-9-15(2)13-20(18)21(19(17)12-14)16-6-4-3-5-7-16;1-11-5-7-15-13(9-11)14-10-12(2)6-8-16(14)17(15,3)4;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h2*3-13H,1-2H3;2*5-10H,1-4H3;4*3-8H,1-2H3
InChIKeyNFKNXKFTJRKCTL-UHFFFAOYSA-N
MW1804.52 g/mol
LogP37.77
Rot. Bonds2

About 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

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 (PubChem CID 159765295) has the molecular formula C130H118N2O2S2 and a molecular weight of 1804.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,8-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
PubChem CID159765295
Molecular FormulaC130H118N2O2S2
Molecular Weight1804.52 g/mol
Exact Mass1802.86
IUPAC Name2,8-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
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2c3ccc(C)cc3n(-c3ccccc3)c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1
InChIInChI=1S/2C20H17N.2C17H18.2C14H12O.2C14H12S/c1-14-8-10-19-17(12-14)18-13-15(2)9-11-20(18)21(19)16-6-4-3-5-7-16;1-14-8-10-17-18-11-9-15(2)13-20(18)21(19(17)12-14)16-6-4-3-5-7-16;1-11-5-7-15-13(9-11)14-10-12(2)6-8-16(14)17(15,3)4;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h2*3-13H,1-2H3;2*5-10H,1-4H3;4*3-8H,1-2H3
InChIKeyNFKNXKFTJRKCTL-UHFFFAOYSA-N
XLogP37.77
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001804.52
LogP ≤ 537.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)-c1cc(C)ccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2c3ccc(C)cc3n(-c3ccccc3)c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.
What is the InChIKey of 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?
The InChIKey is NFKNXKFTJRKCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17N.2C17H18.2C14H12O.2C14H12S/c1-14-8-10-19-17(12-14)18-13-15(2)9-11-20(18)21(19)16-6-4-3-5-7-16;1-14-8-10-17-18-11-9-15(2)13-20(18)21(19(17)12-14)16-6-4-3-5-7-16;1-11-5-7-15-13(9-11)14-10-12(2)6-8-16(14)17(15,3)4;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h2*3-13H,1-2H3;2*5-10H,1-4H3;4*3-8H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1804.52 g/mol, XLogP of 37.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159765295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).