12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene

C172H104N6O5S — CID 160578880

About 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene

12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene (PubChem CID 160578880) has the molecular formula C172H104N6O5S and a molecular weight of 2366.83 g/mol. Its IUPAC name is 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene
• PubChem CID: 160578880
• Molecular Formula: C172H104N6O5S
• Molecular Weight: 2366.83 g/mol
• Exact Mass: 2364.78
• IUPAC Name: 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene
• SMILES: c1ccc(-n2ccc3cc4c(cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cc6c(cc54)oc4ccccc46)cc32)cc1.c1ccc(-n2ccc3cc4c(cc(-c5ccc6oc7ccccc7c6c5)c5cc6c(cc54)oc4ccccc46)cc32)cc1.c1ccc(-n2ccc3cc4c(cc(-c5cccc6c5sc5ccccc56)c5cc6c(cc54)oc4ccccc46)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5c(ccn5-c5ccccc5)cc4c4cc5oc6ccccc6c5cc34)cc2)cc1
• InChI: InChI=1S/C46H28N2O.C46H30N2O.C40H23NO2.C40H23NOS/c1-3-11-32(12-4-1)47-22-21-30-24-37-31(26-44(30)47)25-36(38-27-41-35-16-8-10-18-45(35)49-46(41)28-39(37)38)29-19-20-43-40(23-29)34-15-7-9-17-42(34)48(43)33-13-5-2-6-14-33;1-4-12-34(13-5-1)47-25-24-32-26-40-33(28-44(32)47)27-39(41-29-43-38-18-10-11-19-45(38)49-46(43)30-42(40)41)31-20-22-37(23-21-31)48(35-14-6-2-7-15-35)36-16-8-3-9-17-36;1-2-8-27(9-3-1)41-17-16-25-19-31-26(21-36(25)41)20-30(24-14-15-39-34(18-24)28-10-4-6-12-37(28)42-39)32-22-35-29-11-5-7-13-38(29)43-40(35)23-33(31)32;1-2-9-26(10-3-1)41-18-17-24-19-31-25(21-36(24)41)20-32(30-14-8-13-29-28-12-5-7-16-39(28)43-40(29)30)33-22-35-27-11-4-6-15-37(27)42-38(35)23-34(31)33/h1-28H;1-30H;2*1-23H
• InChIKey: RBMXWAXJYUHDRI-UHFFFAOYSA-N
• XLogP: 48.85
• TPSA: 93.59 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2366.83
LogP ≤ 5	48.85
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 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene?

The IUPAC name of 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene (CID 160578880) is 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene.

What is the SMILES notation for 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene?

The canonical SMILES for 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene is c1ccc(-n2ccc3cc4c(cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cc6c(cc54)oc4ccccc46)cc32)cc1.c1ccc(-n2ccc3cc4c(cc(-c5ccc6oc7ccccc7c6c5)c5cc6c(cc54)oc4ccccc46)cc32)cc1.c1ccc(-n2ccc3cc4c(cc(-c5cccc6c5sc5ccccc56)c5cc6c(cc54)oc4ccccc46)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5c(ccn5-c5ccccc5)cc4c4cc5oc6ccccc6c5cc34)cc2)cc1.

What is the InChIKey of 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene?

The InChIKey is RBMXWAXJYUHDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O.C46H30N2O.C40H23NO2.C40H23NOS/c1-3-11-32(12-4-1)47-22-21-30-24-37-31(26-44(30)47)25-36(38-27-41-35-16-8-10-18-45(35)49-46(41)28-39(37)38)29-19-20-43-40(23-29)34-15-7-9-17-42(34)48(43)33-13-5-2-6-14-33;1-4-12-34(13-5-1)47-25-24-32-26-40-33(28-44(32)47)27-39(41-29-43-38-18-10-11-19-45(38)49-46(43)30-42(40)41)31-20-22-37(23-21-31)48(35-14-6-2-7-15-35)36-16-8-3-9-17-36;1-2-8-27(9-3-1)41-17-16-25-19-31-26(21-36(25)41)20-30(24-14-15-39-34(18-24)28-10-4-6-12-37(28)42-39)32-22-35-29-11-5-7-13-38(29)43-40(35)23-33(31)32;1-2-9-26(10-3-1)41-18-17-24-19-31-25(21-36(24)41)20-32(30-14-8-13-29-28-12-5-7-16-39(28)43-40(29)30)33-22-35-27-11-4-6-15-37(27)42-38(35)23-34(31)33/h1-28H;1-30H;2*1-23H.

What are the key properties of 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene?

12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene has a molecular weight of 2366.83 g/mol, XLogP of 48.85, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene is sourced from PubChem (CID 160578880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).