13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene

C137H87N9O4 — CID 157122242

About 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene

13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (PubChem CID 157122242) has the molecular formula C137H87N9O4 and a molecular weight of 1923.26 g/mol. Its IUPAC name is 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.

Molecular Properties

• Compound Name: 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
• PubChem CID: 157122242
• Molecular Formula: C137H87N9O4
• Molecular Weight: 1923.26 g/mol
• Exact Mass: 1921.69
• IUPAC Name: 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccc5ccccc5c4N(c4ccccc4)c4ccc5ccccc5c43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(N4c5ccc6ccccc6c5Oc5ccc6ccccc6c54)ccc32)cc1.c1ccc(N2c3ccc4ccccc4c3Oc3ccc4ccccc4c32)cc1.c1ccc2c3c(ccc2c1)N(c1cccc2c1oc1ccccc12)c1c(ccc2ccccc12)O3
• InChI: InChI=1S/C41H27N5.C38H24N2O.C32H19NO2.C26H17NO/c1-4-16-30(17-5-1)39-42-40(31-18-6-2-7-19-31)44-41(43-39)46-36-27-25-28-14-10-12-22-33(28)37(36)45(32-20-8-3-9-21-32)35-26-24-29-15-11-13-23-34(29)38(35)46;1-2-12-27(13-3-1)39-33-17-9-8-16-31(33)32-24-28(20-22-34(32)39)40-35-21-18-26-11-5-7-15-30(26)38(35)41-36-23-19-25-10-4-6-14-29(25)37(36)40;1-3-10-22-20(8-1)17-19-29-30(22)33(27-18-16-21-9-2-4-11-23(21)31(27)35-29)26-14-7-13-25-24-12-5-6-15-28(24)34-32(25)26;1-2-10-20(11-3-1)27-23-16-14-19-9-5-7-13-22(19)26(23)28-24-17-15-18-8-4-6-12-21(18)25(24)27/h1-27H;1-24H;1-19H;1-17H
• InChIKey: AICJZJYNTSMHJT-UHFFFAOYSA-N
• XLogP: 38.47
• TPSA: 100.63 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1923.26
LogP ≤ 5	38.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?

The IUPAC name of 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (CID 157122242) is 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.

What is the SMILES notation for 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?

The canonical SMILES for 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccc5ccccc5c4N(c4ccccc4)c4ccc5ccccc5c43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(N4c5ccc6ccccc6c5Oc5ccc6ccccc6c54)ccc32)cc1.c1ccc(N2c3ccc4ccccc4c3Oc3ccc4ccccc4c32)cc1.c1ccc2c3c(ccc2c1)N(c1cccc2c1oc1ccccc12)c1c(ccc2ccccc12)O3.

What is the InChIKey of 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?

The InChIKey is AICJZJYNTSMHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5.C38H24N2O.C32H19NO2.C26H17NO/c1-4-16-30(17-5-1)39-42-40(31-18-6-2-7-19-31)44-41(43-39)46-36-27-25-28-14-10-12-22-33(28)37(36)45(32-20-8-3-9-21-32)35-26-24-29-15-11-13-23-34(29)38(35)46;1-2-12-27(13-3-1)39-33-17-9-8-16-31(33)32-24-28(20-22-34(32)39)40-35-21-18-26-11-5-7-15-30(26)38(35)41-36-23-19-25-10-4-6-14-29(25)37(36)40;1-3-10-22-20(8-1)17-19-29-30(22)33(27-18-16-21-9-2-4-11-23(21)31(27)35-29)26-14-7-13-25-24-12-5-6-15-28(24)34-32(25)26;1-2-10-20(11-3-1)27-23-16-14-19-9-5-7-13-22(19)26(23)28-24-17-15-18-8-4-6-12-21(18)25(24)27/h1-27H;1-24H;1-19H;1-17H.

What are the key properties of 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?

13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene has a molecular weight of 1923.26 g/mol, XLogP of 38.47, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 13-dibenzofuran-4-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-(9-phenylcarbazol-3-yl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;13-phenyl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is sourced from PubChem (CID 157122242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).