11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene

C57H36O4 — CID 166501280

About 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene

11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene (PubChem CID 166501280) has the molecular formula C57H36O4 and a molecular weight of 784.91 g/mol. Its IUPAC name is 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
• PubChem CID: 166501280
• Molecular Formula: C57H36O4
• Molecular Weight: 784.91 g/mol
• Exact Mass: 784.26
• IUPAC Name: 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
• SMILES: Cc1cc2oc3c(c(C)c(C)c4oc5ccc(-c6ccc7oc8ccc(-c9ccccc9)cc8c7c6)cc5c43)c2cc1-c1ccc2oc3ccc(-c4ccccc4)cc3c2c1
• InChI: InChI=1S/C57H36O4/c1-31-24-53-47(30-41(31)40-18-23-51-45(29-40)43-26-37(15-20-49(43)59-51)35-12-8-5-9-13-35)54-32(2)33(3)56-55(57(54)61-53)46-28-39(17-22-52(46)60-56)38-16-21-50-44(27-38)42-25-36(14-19-48(42)58-50)34-10-6-4-7-11-34/h4-30H,1-3H3
• InChIKey: COWVSFOMBAYHEY-UHFFFAOYSA-N
• XLogP: 16.88
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.91
LogP ≤ 5	16.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene?

The IUPAC name of 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene (CID 166501280) is 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene.

What is the SMILES notation for 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene?

The canonical SMILES for 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene is Cc1cc2oc3c(c(C)c(C)c4oc5ccc(-c6ccc7oc8ccc(-c9ccccc9)cc8c7c6)cc5c43)c2cc1-c1ccc2oc3ccc(-c4ccccc4)cc3c2c1.

What is the InChIKey of 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene?

The InChIKey is COWVSFOMBAYHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36O4/c1-31-24-53-47(30-41(31)40-18-23-51-45(29-40)43-26-37(15-20-49(43)59-51)35-12-8-5-9-13-35)54-32(2)33(3)56-55(57(54)61-53)46-28-39(17-22-52(46)60-56)38-16-21-50-44(27-38)42-25-36(14-19-48(42)58-50)34-10-6-4-7-11-34/h4-30H,1-3H3.

What are the key properties of 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene?

11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene has a molecular weight of 784.91 g/mol, XLogP of 16.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene is sourced from PubChem (CID 166501280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).