3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene)

C200H112N8O2S6 — CID 162127343

About 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene)

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene) (PubChem CID 162127343) has the molecular formula C200H112N8O2S6 and a molecular weight of 2851.55 g/mol. Its IUPAC name is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene).

Molecular Properties

• Compound Name: 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene)
• PubChem CID: 162127343
• Molecular Formula: C200H112N8O2S6
• Molecular Weight: 2851.55 g/mol
• Exact Mass: 2848.72
• IUPAC Name: 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene)
• SMILES: c1ccc2c(c1)oc1ccc(-n3c4cccc5ccc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8sc9ccccc9c8c7)cc3c6c54)cc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-c5cc6ccc7cccc8c7c6c(c5)n8-c5ccc6sc7ccccc7c6c5)ccc43)cc12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5cc6ccc7cccc8c7c6c(c5)n8-c5ccc6sc7ccccc7c6c5)ccc43)cc12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5cc6ccc7cccc8c7c6c(c5)n8-c5ccc6sc7ccccc7c6c5)ccc43)cc12
• InChI: InChI=1S/2C50H28N2OS.2C50H28N2S2/c1-4-12-41-35(9-1)38-25-30(18-21-42(38)51(41)34-20-23-48-40(28-34)37-11-3-6-15-47(37)54-48)32-24-31-17-16-29-8-7-13-43-49(29)50(31)44(26-32)52(43)33-19-22-46-39(27-33)36-10-2-5-14-45(36)53-46;1-4-12-41-35(9-1)38-25-30(18-21-42(38)51(41)33-19-22-46-39(27-33)36-10-2-5-14-45(36)53-46)32-24-31-17-16-29-8-7-13-43-49(29)50(31)44(26-32)52(43)34-20-23-48-40(28-34)37-11-3-6-15-47(37)54-48;2*1-4-12-41-35(9-1)38-25-30(18-21-42(38)51(41)33-19-22-47-39(27-33)36-10-2-5-14-45(36)53-47)32-24-31-17-16-29-8-7-13-43-49(29)50(31)44(26-32)52(43)34-20-23-48-40(28-34)37-11-3-6-15-46(37)54-48/h4*1-28H
• InChIKey: ZIFBSUJPFKFKBE-UHFFFAOYSA-N
• XLogP: 58.56
• TPSA: 65.72 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2851.55
LogP ≤ 5	58.56
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 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene)?

The IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene) (CID 162127343) is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene).

What is the SMILES notation for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene)?

The canonical SMILES for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene) is c1ccc2c(c1)oc1ccc(-n3c4cccc5ccc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8sc9ccccc9c8c7)cc3c6c54)cc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-c5cc6ccc7cccc8c7c6c(c5)n8-c5ccc6sc7ccccc7c6c5)ccc43)cc12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5cc6ccc7cccc8c7c6c(c5)n8-c5ccc6sc7ccccc7c6c5)ccc43)cc12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5cc6ccc7cccc8c7c6c(c5)n8-c5ccc6sc7ccccc7c6c5)ccc43)cc12.

What is the InChIKey of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene)?

The InChIKey is ZIFBSUJPFKFKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H28N2OS.2C50H28N2S2/c1-4-12-41-35(9-1)38-25-30(18-21-42(38)51(41)34-20-23-48-40(28-34)37-11-3-6-15-47(37)54-48)32-24-31-17-16-29-8-7-13-43-49(29)50(31)44(26-32)52(43)33-19-22-46-39(27-33)36-10-2-5-14-45(36)53-46;1-4-12-41-35(9-1)38-25-30(18-21-42(38)51(41)33-19-22-46-39(27-33)36-10-2-5-14-45(36)53-46)32-24-31-17-16-29-8-7-13-43-49(29)50(31)44(26-32)52(43)34-20-23-48-40(28-34)37-11-3-6-15-47(37)54-48;2*1-4-12-41-35(9-1)38-25-30(18-21-42(38)51(41)33-19-22-47-39(27-33)36-10-2-5-14-45(36)53-47)32-24-31-17-16-29-8-7-13-43-49(29)50(31)44(26-32)52(43)34-20-23-48-40(28-34)37-11-3-6-15-46(37)54-48/h4*1-28H.

What are the key properties of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene)?

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene) has a molecular weight of 2851.55 g/mol, XLogP of 58.56, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene) is sourced from PubChem (CID 162127343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).