21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene

C140H88N8O3 — CID 165064841

About 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene

21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene (PubChem CID 165064841) has the molecular formula C140H88N8O3 and a molecular weight of 1930.30 g/mol. Its IUPAC name is 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene.

Molecular Properties

• Compound Name: 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
• PubChem CID: 165064841
• Molecular Formula: C140H88N8O3
• Molecular Weight: 1930.30 g/mol
• Exact Mass: 1928.70
• IUPAC Name: 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
• SMILES: c1ccc(-c2nc3cc(N4c5ccccc5Oc5cc6c7ccccc7c7ccccc7c6cc54)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccc(-c4ccc5c(c4)N(c4ccccc4)c4cc6c7ccccc7c7ccccc7c6cc4O5)cc3n2-c2ccccc2)cc1.c1ccc(N2c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc3Oc3cc4c5ccccc5c5ccccc5c4cc32)cc1
• InChI: InChI=1S/C49H31N3O.C48H30N2O.C43H27N3O/c1-4-14-32(15-5-1)49-50-43-26-24-33(28-44(43)52(49)36-18-8-3-9-19-36)34-25-27-47-45(29-34)51(35-16-6-2-7-17-35)46-30-41-39-22-12-10-20-37(39)38-21-11-13-23-40(38)42(41)31-48(46)53-47;1-2-14-32(15-3-1)49-45-28-31(33-16-8-11-23-42(33)50-43-24-12-9-21-38(43)39-22-10-13-25-44(39)50)26-27-47(45)51-48-30-41-37-20-7-5-18-35(37)34-17-4-6-19-36(34)40(41)29-46(48)49;1-3-13-28(14-4-1)43-44-37-25-30(23-24-38(37)46(43)29-15-5-2-6-16-29)45-39-21-11-12-22-41(39)47-42-27-36-34-20-10-8-18-32(34)31-17-7-9-19-33(31)35(36)26-40(42)45/h1-31H;1-30H;1-27H
• InChIKey: RUHUYPNHMGRGHT-UHFFFAOYSA-N
• XLogP: 38.61
• TPSA: 77.98 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.30
LogP ≤ 5	38.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene?

The IUPAC name of 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene (CID 165064841) is 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene.

What is the SMILES notation for 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene?

The canonical SMILES for 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene is c1ccc(-c2nc3cc(N4c5ccccc5Oc5cc6c7ccccc7c7ccccc7c6cc54)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccc(-c4ccc5c(c4)N(c4ccccc4)c4cc6c7ccccc7c7ccccc7c6cc4O5)cc3n2-c2ccccc2)cc1.c1ccc(N2c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc3Oc3cc4c5ccccc5c5ccccc5c4cc32)cc1.

What is the InChIKey of 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene?

The InChIKey is RUHUYPNHMGRGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O.C48H30N2O.C43H27N3O/c1-4-14-32(15-5-1)49-50-43-26-24-33(28-44(43)52(49)36-18-8-3-9-19-36)34-25-27-47-45(29-34)51(35-16-6-2-7-17-35)46-30-41-39-22-12-10-20-37(39)38-21-11-13-23-40(38)42(41)31-48(46)53-47;1-2-14-32(15-3-1)49-45-28-31(33-16-8-11-23-42(33)50-43-24-12-9-21-38(43)39-22-10-13-25-44(39)50)26-27-47(45)51-48-30-41-37-20-7-5-18-35(37)34-17-4-6-19-36(34)40(41)29-46(48)49;1-3-13-28(14-4-1)43-44-37-25-30(23-24-38(37)46(43)29-15-5-2-6-16-29)45-39-21-11-12-22-41(39)47-42-27-36-34-20-10-8-18-32(34)31-17-7-9-19-33(31)35(36)26-40(42)45/h1-31H;1-30H;1-27H.

What are the key properties of 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene?

21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene has a molecular weight of 1930.30 g/mol, XLogP of 38.61, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene is sourced from PubChem (CID 165064841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).