2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran

C152H119FO8 — CID 167664535

About 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran

2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran (PubChem CID 167664535) has the molecular formula C152H119FO8 and a molecular weight of 2092.61 g/mol. Its IUPAC name is 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran.

Molecular Properties

• Compound Name: 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran
• PubChem CID: 167664535
• Molecular Formula: C152H119FO8
• Molecular Weight: 2092.61 g/mol
• Exact Mass: 2090.89
• IUPAC Name: 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran
• SMILES: Cc1cc(-c2ccccc2)c2c(oc3ccccc32)c1C.Cc1cc2oc3cc(-c4ccccc4)ccc3c2cc1C.Cc1cc2oc3cc4c(ccc5ccccc54)cc3c2cc1C.Cc1cc2oc3ccc(-c4ccc(F)cc4)cc3c2cc1C.Cc1cc2oc3ccc(-c4ccccc4)cc3c2cc1C.Cc1cc2oc3ccc4c5ccccc5ccc4c3c2cc1C.Cc1cc2oc3ccccc3c2cc1C.Cc1ccc2c(oc3ccccc32)c1C
• InChI: InChI=1S/2C22H16O.C20H15FO.3C20H16O.2C14H12O/c1-13-9-19-20-11-16-8-7-15-5-3-4-6-17(15)18(16)12-22(20)23-21(19)10-14(13)2;1-13-11-19-21(12-14(13)2)23-20-10-9-17-16-6-4-3-5-15(16)7-8-18(17)22(19)20;1-12-9-17-18-11-15(14-3-6-16(21)7-4-14)5-8-19(18)22-20(17)10-13(12)2;1-13-12-17(15-8-4-3-5-9-15)19-16-10-6-7-11-18(16)21-20(19)14(13)2;1-13-10-17-18-12-16(15-6-4-3-5-7-15)8-9-19(18)21-20(17)11-14(13)2;1-13-10-18-17-9-8-16(15-6-4-3-5-7-15)12-20(17)21-19(18)11-14(13)2;1-9-7-12-11-5-3-4-6-13(11)15-14(12)8-10(9)2;1-9-7-8-12-11-5-3-4-6-13(11)15-14(12)10(9)2/h2*3-12H,1-2H3;3-11H,1-2H3;3*3-12H,1-2H3;2*3-8H,1-2H3
• InChIKey: SKXASHXNUGNLFB-UHFFFAOYSA-N
• XLogP: 45.04
• TPSA: 105.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2092.61
LogP ≤ 5	45.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran?

The IUPAC name of 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran (CID 167664535) is 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran.

What is the SMILES notation for 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran?

The canonical SMILES for 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran is Cc1cc(-c2ccccc2)c2c(oc3ccccc32)c1C.Cc1cc2oc3cc(-c4ccccc4)ccc3c2cc1C.Cc1cc2oc3cc4c(ccc5ccccc54)cc3c2cc1C.Cc1cc2oc3ccc(-c4ccc(F)cc4)cc3c2cc1C.Cc1cc2oc3ccc(-c4ccccc4)cc3c2cc1C.Cc1cc2oc3ccc4c5ccccc5ccc4c3c2cc1C.Cc1cc2oc3ccccc3c2cc1C.Cc1ccc2c(oc3ccccc32)c1C.

What is the InChIKey of 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran?

The InChIKey is SKXASHXNUGNLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16O.C20H15FO.3C20H16O.2C14H12O/c1-13-9-19-20-11-16-8-7-15-5-3-4-6-17(15)18(16)12-22(20)23-21(19)10-14(13)2;1-13-11-19-21(12-14(13)2)23-20-10-9-17-16-6-4-3-5-15(16)7-8-18(17)22(19)20;1-12-9-17-18-11-15(14-3-6-16(21)7-4-14)5-8-19(18)22-20(17)10-13(12)2;1-13-12-17(15-8-4-3-5-9-15)19-16-10-6-7-11-18(16)21-20(19)14(13)2;1-13-10-17-18-12-16(15-6-4-3-5-7-15)8-9-19(18)21-20(17)11-14(13)2;1-13-10-18-17-9-8-16(15-6-4-3-5-7-15)12-20(17)21-19(18)11-14(13)2;1-9-7-12-11-5-3-4-6-13(11)15-14(12)8-10(9)2;1-9-7-8-12-11-5-3-4-6-13(11)15-14(12)10(9)2/h2*3-12H,1-2H3;3-11H,1-2H3;3*3-12H,1-2H3;2*3-8H,1-2H3.

What are the key properties of 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran?

2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran has a molecular weight of 2092.61 g/mol, XLogP of 45.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyldibenzofuran;3,4-dimethyldibenzofuran;5,6-dimethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;6,7-dimethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;2,3-dimethyl-7-phenyldibenzofuran;2,3-dimethyl-8-phenyldibenzofuran;3,4-dimethyl-1-phenyldibenzofuran;8-(4-fluorophenyl)-2,3-dimethyldibenzofuran is sourced from PubChem (CID 167664535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).