2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C106H98N4OS6 — CID 157181218

About 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 157181218) has the molecular formula C106H98N4OS6 and a molecular weight of 1636.38 g/mol. Its IUPAC name is 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

• Compound Name: 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• PubChem CID: 157181218
• Molecular Formula: C106H98N4OS6
• Molecular Weight: 1636.38 g/mol
• Exact Mass: 1634.61
• IUPAC Name: 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• SMILES: Cc1cc2c(s1)c1sc(C)cc1n2C.Cc1cc2sc3cc(C)sc3c2s1.Cc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1
• InChI: InChI=1S/C21H19N.C21H21N.C15H15N.C14H12O.C14H12S.C11H11NS2.C10H8S3/c1-14-4-8-17(9-5-14)22-20-10-6-15(2)12-18(20)19-13-16(3)7-11-21(19)22;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-6-4-8-10(13-6)11-9(12(8)3)5-7(2)14-11;1-5-3-7-9(11-5)10-8(13-7)4-6(2)12-10/h4-13H,1-3H3;4-15H,1-3H3;4-9H,1-3H3;2*3-8H,1-2H3;4-5H,1-3H3;3-4H,1-2H3
• InChIKey: AOOYOTIHZLCAAI-UHFFFAOYSA-N
• XLogP: 33.48
• TPSA: 31.17 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.38
LogP ≤ 5	33.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The IUPAC name of 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 157181218) is 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

What is the SMILES notation for 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The canonical SMILES for 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is Cc1cc2c(s1)c1sc(C)cc1n2C.Cc1cc2sc3cc(C)sc3c2s1.Cc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.

What is the InChIKey of 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The InChIKey is AOOYOTIHZLCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N.C21H21N.C15H15N.C14H12O.C14H12S.C11H11NS2.C10H8S3/c1-14-4-8-17(9-5-14)22-20-10-6-15(2)12-18(20)19-13-16(3)7-11-21(19)22;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-6-4-8-10(13-6)11-9(12(8)3)5-7(2)14-11;1-5-3-7-9(11-5)10-8(13-7)4-6(2)12-10/h4-13H,1-3H3;4-15H,1-3H3;4-9H,1-3H3;2*3-8H,1-2H3;4-5H,1-3H3;3-4H,1-2H3.

What are the key properties of 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 1636.38 g/mol, XLogP of 33.48, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,6-dimethyl-9-(4-methylphenyl)carbazole;4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;4-methyl-N,N-bis(4-methylphenyl)aniline;3,6,9-trimethylcarbazole;4,7,10-trimethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 157181218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).