2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C194H128N4O3S9 — CID 157077917

About 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 157077917) has the molecular formula C194H128N4O3S9 and a molecular weight of 2851.79 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
• PubChem CID: 157077917
• Molecular Formula: C194H128N4O3S9
• Molecular Weight: 2851.79 g/mol
• Exact Mass: 2848.75
• IUPAC Name: 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
• SMILES: C.Cc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Cc1ccc2oc3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1.Cc1ccc2sc3cc4c(cc3c2c1)sc1ccccc14.Cc1cccc2c1sc1c2ccc2c3ccccc3sc21.Cn1c2ccc(-c3cccc4c3sc3ccccc34)cc2c2cc(-c3cccc4c3sc3ccccc34)ccc21.Cn1c2ccccc2c2cc(-c3cccc4c3sc3c(-c5cccc6c5sc5ccccc56)cccc34)ccc21.Cn1c2ccccc2c2cc(-c3cccc4c3sc3ccccc34)ccc21
• InChI: InChI=1S/2C37H23NS2.C31H21NO.C25H17NS.C25H16O2.2C19H12S2.CH4/c1-38-32-17-4-2-9-24(32)31-21-22(19-20-33(31)38)23-11-6-13-27-29-15-8-16-30(37(29)40-35(23)27)28-14-7-12-26-25-10-3-5-18-34(25)39-36(26)28;1-38-32-18-16-22(24-10-6-12-28-26-8-2-4-14-34(26)39-36(24)28)20-30(32)31-21-23(17-19-33(31)38)25-11-7-13-29-27-9-3-5-15-35(27)40-37(25)29;1-20-11-15-30-26(17-20)27-19-22(13-16-31(27)33-30)21-12-14-29-25(18-21)24-9-5-6-10-28(24)32(29)23-7-3-2-4-8-23;1-26-22-11-4-2-7-18(22)21-15-16(13-14-23(21)26)17-9-6-10-20-19-8-3-5-12-24(19)27-25(17)20;1-15-9-11-23-20(13-15)21-14-16(10-12-24(21)26-23)17-6-4-7-19-18-5-2-3-8-22(18)27-25(17)19;1-11-5-4-7-13-15-10-9-14-12-6-2-3-8-16(12)20-18(14)19(15)21-17(11)13;1-11-6-7-17-13(8-11)15-10-18-14(9-19(15)21-17)12-4-2-3-5-16(12)20-18;/h2*2-21H,1H3;2-19H,1H3;2-15H,1H3;2-14H,1H3;2*2-10H,1H3;1H4
• InChIKey: ADEPKEWAJHKLSK-UHFFFAOYSA-N
• XLogP: 60.39
• TPSA: 59.14 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2851.79
LogP ≤ 5	60.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The IUPAC name of 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 157077917) is 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

What is the SMILES notation for 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The canonical SMILES for 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is C.Cc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Cc1ccc2oc3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1.Cc1ccc2sc3cc4c(cc3c2c1)sc1ccccc14.Cc1cccc2c1sc1c2ccc2c3ccccc3sc21.Cn1c2ccc(-c3cccc4c3sc3ccccc34)cc2c2cc(-c3cccc4c3sc3ccccc34)ccc21.Cn1c2ccccc2c2cc(-c3cccc4c3sc3c(-c5cccc6c5sc5ccccc56)cccc34)ccc21.Cn1c2ccccc2c2cc(-c3cccc4c3sc3ccccc34)ccc21.

What is the InChIKey of 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The InChIKey is ADEPKEWAJHKLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H23NS2.C31H21NO.C25H17NS.C25H16O2.2C19H12S2.CH4/c1-38-32-17-4-2-9-24(32)31-21-22(19-20-33(31)38)23-11-6-13-27-29-15-8-16-30(37(29)40-35(23)27)28-14-7-12-26-25-10-3-5-18-34(25)39-36(26)28;1-38-32-18-16-22(24-10-6-12-28-26-8-2-4-14-34(26)39-36(24)28)20-30(32)31-21-23(17-19-33(31)38)25-11-7-13-29-27-9-3-5-15-35(27)40-37(25)29;1-20-11-15-30-26(17-20)27-19-22(13-16-31(27)33-30)21-12-14-29-25(18-21)24-9-5-6-10-28(24)32(29)23-7-3-2-4-8-23;1-26-22-11-4-2-7-18(22)21-15-16(13-14-23(21)26)17-9-6-10-20-19-8-3-5-12-24(19)27-25(17)20;1-15-9-11-23-20(13-15)21-14-16(10-12-24(21)26-23)17-6-4-7-19-18-5-2-3-8-22(18)27-25(17)19;1-11-5-4-7-13-15-10-9-14-12-6-2-3-8-16(12)20-18(14)19(15)21-17(11)13;1-11-6-7-17-13(8-11)15-10-18-14(9-19(15)21-17)12-4-2-3-5-16(12)20-18;/h2*2-21H,1H3;2-19H,1H3;2-15H,1H3;2-14H,1H3;2*2-10H,1H3;1H4.

What are the key properties of 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 2851.79 g/mol, XLogP of 60.39, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 157077917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).