methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

C131H86N6O6 — CID 157354450

About methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (PubChem CID 157354450) has the molecular formula C131H86N6O6 and a molecular weight of 1840.16 g/mol. Its IUPAC name is methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• PubChem CID: 157354450
• Molecular Formula: C131H86N6O6
• Molecular Weight: 1840.16 g/mol
• Exact Mass: 1838.66
• IUPAC Name: methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• SMILES: C.C.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(N4c5ccccc5Oc5ccccc54)cc2)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2cccc(N4c5ccccc5Oc5ccccc54)c2)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccccc2N2c4ccccc4Oc4ccccc42)c2oc4ccccc4c23)cc1
• InChI: InChI=1S/3C43H26N2O2.2CH4/c1-2-14-27(15-3-1)42-32-26-31(43-41(30-18-6-11-23-37(30)47-43)40(32)29-17-4-7-19-33(29)44-42)28-16-5-8-20-34(28)45-35-21-9-12-24-38(35)46-39-25-13-10-22-36(39)45;1-2-13-27(14-3-1)42-33-26-32(43-41(31-18-5-9-22-37(31)47-43)40(33)30-17-4-6-19-34(30)44-42)28-15-12-16-29(25-28)45-35-20-7-10-23-38(35)46-39-24-11-8-21-36(39)45;1-2-12-28(13-3-1)42-33-26-32(43-41(31-15-5-9-19-37(31)47-43)40(33)30-14-4-6-16-34(30)44-42)27-22-24-29(25-23-27)45-35-17-7-10-20-38(35)46-39-21-11-8-18-36(39)45;;/h3*1-26H;2*1H4
• InChIKey: BHXNCNZYOUXZHZ-UHFFFAOYSA-N
• XLogP: 37.86
• TPSA: 115.50 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.16
LogP ≤ 5	37.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The IUPAC name of methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (CID 157354450) is methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

What is the SMILES notation for methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The canonical SMILES for methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is C.C.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(N4c5ccccc5Oc5ccccc54)cc2)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2cccc(N4c5ccccc5Oc5ccccc54)c2)c2oc4ccccc4c23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccccc2N2c4ccccc4Oc4ccccc42)c2oc4ccccc4c23)cc1.

What is the InChIKey of methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The InChIKey is BHXNCNZYOUXZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H26N2O2.2CH4/c1-2-14-27(15-3-1)42-32-26-31(43-41(30-18-6-11-23-37(30)47-43)40(32)29-17-4-7-19-33(29)44-42)28-16-5-8-20-34(28)45-35-21-9-12-24-38(35)46-39-25-13-10-22-36(39)45;1-2-13-27(14-3-1)42-33-26-32(43-41(31-18-5-9-22-37(31)47-43)40(33)30-17-4-6-19-34(30)44-42)28-15-12-16-29(25-28)45-35-20-7-10-23-38(35)46-39-24-11-8-21-36(39)45;1-2-12-28(13-3-1)42-33-26-32(43-41(31-15-5-9-19-37(31)47-43)40(33)30-14-4-6-16-34(30)44-42)27-22-24-29(25-23-27)45-35-17-7-10-20-38(35)46-39-21-11-8-18-36(39)45;;/h3*1-26H;2*1H4.

What are the key properties of methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene has a molecular weight of 1840.16 g/mol, XLogP of 37.86, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methane;11-(2-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(4-phenoxazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is sourced from PubChem (CID 157354450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).