10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene

C142H82N12O3S — CID 157270239

About 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene

10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene (PubChem CID 157270239) has the molecular formula C142H82N12O3S and a molecular weight of 2036.37 g/mol. Its IUPAC name is 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene.

Molecular Properties

• Compound Name: 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
• PubChem CID: 157270239
• Molecular Formula: C142H82N12O3S
• Molecular Weight: 2036.37 g/mol
• Exact Mass: 2034.64
• IUPAC Name: 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3nc5cc(-c6ccc7oc8ccccc8c7c6)ccn5c43)n2)cc1.c1ccc2c(c1)oc1ccc(-c3ccn4c(c3)nc3c5ccccc5c5cc(-c6cc(-c7ccc8c(c7)sc7ccccc78)ccn6)ccc5c34)cc12.c1ccc2c(c1)oc1ccc(-c3ccn4c(c3)nc3c5ccccc5c5cc(-c6cc(-n7c8ccccc8c8ccccc87)ccn6)ccc5c34)cc12
• InChI: InChI=1S/C48H28N4O.C48H27N3OS.C46H27N5O/c1-2-13-37-33(9-1)39-26-31(41-28-32(21-23-49-41)52-42-14-6-3-10-34(42)35-11-4-7-15-43(35)52)17-19-38(39)48-47(37)50-46-27-30(22-24-51(46)48)29-18-20-45-40(25-29)36-12-5-8-16-44(36)53-45;1-2-10-37-33(7-1)39-24-32(41-25-30(19-21-49-41)29-13-16-36-35-9-4-6-12-44(35)53-45(36)26-29)14-17-38(39)48-47(37)50-46-27-31(20-22-51(46)48)28-15-18-43-40(23-28)34-8-3-5-11-42(34)52-43;1-3-11-28(12-4-1)44-48-45(29-13-5-2-6-14-29)50-46(49-44)32-19-21-36-37(26-32)33-15-7-8-17-35(33)42-43(36)51-24-23-31(27-41(51)47-42)30-20-22-40-38(25-30)34-16-9-10-18-39(34)52-40/h1-28H;1-27H;1-27H
• InChIKey: AYLHUXZOGPAEQY-UHFFFAOYSA-N
• XLogP: 37.52
• TPSA: 160.70 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2036.37
LogP ≤ 5	37.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?

The IUPAC name of 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene (CID 157270239) is 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene.

What is the SMILES notation for 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?

The canonical SMILES for 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3nc5cc(-c6ccc7oc8ccccc8c7c6)ccn5c43)n2)cc1.c1ccc2c(c1)oc1ccc(-c3ccn4c(c3)nc3c5ccccc5c5cc(-c6cc(-c7ccc8c(c7)sc7ccccc78)ccn6)ccc5c34)cc12.c1ccc2c(c1)oc1ccc(-c3ccn4c(c3)nc3c5ccccc5c5cc(-c6cc(-n7c8ccccc8c8ccccc87)ccn6)ccc5c34)cc12.

What is the InChIKey of 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?

The InChIKey is AYLHUXZOGPAEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O.C48H27N3OS.C46H27N5O/c1-2-13-37-33(9-1)39-26-31(41-28-32(21-23-49-41)52-42-14-6-3-10-34(42)35-11-4-7-15-43(35)52)17-19-38(39)48-47(37)50-46-27-30(22-24-51(46)48)29-18-20-45-40(25-29)36-12-5-8-16-44(36)53-45;1-2-10-37-33(7-1)39-24-32(41-25-30(19-21-49-41)29-13-16-36-35-9-4-6-12-44(35)53-45(36)26-29)14-17-38(39)48-47(37)50-46-27-31(20-22-51(46)48)28-15-18-43-40(23-28)34-8-3-5-11-42(34)52-43;1-3-11-28(12-4-1)44-48-45(29-13-5-2-6-14-29)50-46(49-44)32-19-21-36-37(26-32)33-15-7-8-17-35(33)42-43(36)51-24-23-31(27-41(51)47-42)30-20-22-40-38(25-30)34-16-9-10-18-39(34)52-40/h1-28H;1-27H;1-27H.

What are the key properties of 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?

10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene has a molecular weight of 2036.37 g/mol, XLogP of 37.52, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene is sourced from PubChem (CID 157270239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).