deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene

C169H110O6 — CID 161359389

About deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene

deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene (PubChem CID 161359389) has the molecular formula C169H110O6 and a molecular weight of 2239.75 g/mol. Its IUPAC name is deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene.

Molecular Properties

• Compound Name: deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
• PubChem CID: 161359389
• Molecular Formula: C169H110O6
• Molecular Weight: 2239.75 g/mol
• Exact Mass: 2237.85
• IUPAC Name: deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
• SMILES: [2H]C.[2H]C.[2H]C.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)c3oc4cc5oc6ccccc6c5cc4c23)cc1.c1ccc(-c2ccc3c(oc4ccc5oc6ccccc6c5c43)c2-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.c1ccc(-c2ccc3c(oc4ccc5oc6ccccc6c5c43)c2-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C58H34O2.2C54H32O2.3CH4/c1-2-15-36(16-3-1)38-29-32-49-56-52(34-33-51-55(56)48-26-12-13-28-50(48)59-51)60-58(49)57(38)54-45-24-10-8-22-43(45)53(44-23-9-11-25-46(44)54)47-31-30-42(40-20-6-7-21-41(40)47)39-27-14-18-35-17-4-5-19-37(35)39;1-2-13-34(14-3-1)39-29-30-45(54-53(39)47-31-46-40-18-10-11-24-48(40)55-49(46)32-50(47)56-54)52-43-21-8-6-19-41(43)51(42-20-7-9-22-44(42)52)36-27-25-35(26-28-36)38-23-12-16-33-15-4-5-17-37(33)38;1-2-13-35(14-3-1)39-28-29-45-52-48(31-30-47-51(52)44-20-10-11-21-46(44)55-47)56-54(45)53(39)50-42-18-8-6-16-40(42)49(41-17-7-9-19-43(41)50)36-25-22-34(23-26-36)38-27-24-33-12-4-5-15-37(33)32-38;;;/h1-34H;2*1-32H;3*1H4/i;;;3*1D
• InChIKey: VOYZBDKYZWCPSR-WMAGKGSMSA-N
• XLogP: 49.90
• TPSA: 78.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2239.75
LogP ≤ 5	49.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?

The IUPAC name of deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene (CID 161359389) is deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene.

What is the SMILES notation for deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?

The canonical SMILES for deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene is [2H]C.[2H]C.[2H]C.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)c3oc4cc5oc6ccccc6c5cc4c23)cc1.c1ccc(-c2ccc3c(oc4ccc5oc6ccccc6c5c43)c2-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.c1ccc(-c2ccc3c(oc4ccc5oc6ccccc6c5c43)c2-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4ccccc34)c3ccccc23)cc1.

What is the InChIKey of deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?

The InChIKey is VOYZBDKYZWCPSR-WMAGKGSMSA-N. The full InChI is InChI=1S/C58H34O2.2C54H32O2.3CH4/c1-2-15-36(16-3-1)38-29-32-49-56-52(34-33-51-55(56)48-26-12-13-28-50(48)59-51)60-58(49)57(38)54-45-24-10-8-22-43(45)53(44-23-9-11-25-46(44)54)47-31-30-42(40-20-6-7-21-41(40)47)39-27-14-18-35-17-4-5-19-37(35)39;1-2-13-34(14-3-1)39-29-30-45(54-53(39)47-31-46-40-18-10-11-24-48(40)55-49(46)32-50(47)56-54)52-43-21-8-6-19-41(43)51(42-20-7-9-22-44(42)52)36-27-25-35(26-28-36)38-23-12-16-33-15-4-5-17-37(33)38;1-2-13-35(14-3-1)39-28-29-45-52-48(31-30-47-51(52)44-20-10-11-21-46(44)55-47)56-54(45)53(39)50-42-18-8-6-16-40(42)49(41-17-7-9-19-43(41)50)36-25-22-34(23-26-36)38-27-24-33-12-4-5-15-37(33)32-38;;;/h1-34H;2*1-32H;3*1H4/i;;;3*1D.

What are the key properties of deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?

deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene has a molecular weight of 2239.75 g/mol, XLogP of 49.90, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-6-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene is sourced from PubChem (CID 161359389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).