5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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

C184H112O8 — CID 162234449

About 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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

5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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 162234449) has the molecular formula C184H112O8 and a molecular weight of 2450.91 g/mol. Its IUPAC name is 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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: 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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: 162234449
• Molecular Formula: C184H112O8
• Molecular Weight: 2450.91 g/mol
• Exact Mass: 2448.84
• IUPAC Name: 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5c(ccc6oc7ccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc7c65)c4c3)c2)cc1.c1ccc(-c2ccc(-c3ccc4oc5c(ccc6oc7ccc(-c8ccc(-c9ccccc9)cc8)cc7c65)c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(ccc6oc7ccc(-c8cccc(-c9ccccc9)c8)cc7c65)c4c3)c2)cc1.c1ccc2c(c1)cc(-c1ccc3oc4c(ccc5oc6ccc(-c7cc8ccccc8c8ccccc78)cc6c54)c3c1)c1ccccc12
• InChI: InChI=1S/C54H34O2.C46H26O2.2C42H26O2/c1-5-13-35(14-6-1)41-27-42(36-15-7-2-8-16-36)30-45(29-41)39-21-24-50-48(33-39)47-23-26-52-53(54(47)56-50)49-34-40(22-25-51(49)55-52)46-31-43(37-17-9-3-10-18-37)28-44(32-46)38-19-11-4-12-20-38;1-3-11-31-27(9-1)23-38(35-15-7-5-13-33(31)35)29-17-20-42-40(25-29)37-19-22-44-45(46(37)48-42)41-26-30(18-21-43(41)47-44)39-24-28-10-2-4-12-32(28)34-14-6-8-16-36(34)39;1-3-9-27(10-4-1)29-13-7-15-31(23-29)33-17-20-38-36(25-33)35-19-22-40-41(42(35)44-38)37-26-34(18-21-39(37)43-40)32-16-8-14-30(24-32)28-11-5-2-6-12-28;1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-22-38-36(25-33)35-21-24-40-41(42(35)44-38)37-26-34(20-23-39(37)43-40)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-34H;1-26H;2*1-26H
• InChIKey: ZVWKCYWUAKJUII-UHFFFAOYSA-N
• XLogP: 53.23
• TPSA: 105.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2450.91
LogP ≤ 5	53.23
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 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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 162234449) is 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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 c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5c(ccc6oc7ccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc7c65)c4c3)c2)cc1.c1ccc(-c2ccc(-c3ccc4oc5c(ccc6oc7ccc(-c8ccc(-c9ccccc9)cc8)cc7c65)c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(ccc6oc7ccc(-c8cccc(-c9ccccc9)c8)cc7c65)c4c3)c2)cc1.c1ccc2c(c1)cc(-c1ccc3oc4c(ccc5oc6ccc(-c7cc8ccccc8c8ccccc78)cc6c54)c3c1)c1ccccc12.

What is the InChIKey of 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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 ZVWKCYWUAKJUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O2.C46H26O2.2C42H26O2/c1-5-13-35(14-6-1)41-27-42(36-15-7-2-8-16-36)30-45(29-41)39-21-24-50-48(33-39)47-23-26-52-53(54(47)56-50)49-34-40(22-25-51(49)55-52)46-31-43(37-17-9-3-10-18-37)28-44(32-46)38-19-11-4-12-20-38;1-3-11-31-27(9-1)23-38(35-15-7-5-13-33(31)35)29-17-20-42-40(25-29)37-19-22-44-45(46(37)48-42)41-26-30(18-21-43(41)47-44)39-24-28-10-2-4-12-32(28)34-14-6-8-16-36(34)39;1-3-9-27(10-4-1)29-13-7-15-31(23-29)33-17-20-38-36(25-33)35-19-22-40-41(42(35)44-38)37-26-34(18-21-39(37)43-40)32-16-8-14-30(24-32)28-11-5-2-6-12-28;1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-22-38-36(25-33)35-21-24-40-41(42(35)44-38)37-26-34(20-23-39(37)43-40)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-34H;1-26H;2*1-26H.

What are the key properties of 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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?

5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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 2450.91 g/mol, XLogP of 53.23, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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 162234449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).