11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene

C138H77N11S — CID 160869075

About 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene

11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene (PubChem CID 160869075) has the molecular formula C138H77N11S and a molecular weight of 1921.28 g/mol. Its IUPAC name is 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene
• PubChem CID: 160869075
• Molecular Formula: C138H77N11S
• Molecular Weight: 1921.28 g/mol
• Exact Mass: 1919.61
• IUPAC Name: 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6cccc7c6c5c3n47)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc6c7cc(-n8c9ccccc9c9ccccc98)ccc7c7cccc8c7c6c5n8c4c3)n2)cc1.c1ccc2c(c1)sc1c(-c3ccc4c(c3)c3ccc5c6ccccc6n6c7cccc4c7c3c56)cccc12
• InChI: InChI=1S/2C51H29N5.C36H19NS/c1-3-12-30(13-4-1)49-52-50(31-14-5-2-6-15-31)54-51(53-49)32-22-27-44-41(28-32)39-26-25-38-40-29-33(55-42-19-9-7-16-35(42)36-17-8-10-20-43(36)55)23-24-34(40)37-18-11-21-45-46(37)47(38)48(39)56(44)45;1-3-12-30(13-4-1)49-52-50(31-14-5-2-6-15-31)54-51(53-49)32-22-24-37-40-27-26-39-41-29-33(55-42-19-9-7-16-35(42)36-17-8-10-20-43(36)55)23-25-34(41)38-18-11-21-44-46(38)47(39)48(40)56(44)45(37)28-32;1-3-12-30-23(7-1)27-18-17-26-29-19-20(21-9-5-11-28-24-8-2-4-14-32(24)38-36(21)28)15-16-22(29)25-10-6-13-31-33(25)34(26)35(27)37(30)31/h2*1-29H;1-19H
• InChIKey: SLNFGHKKEZYEMJ-UHFFFAOYSA-N
• XLogP: 36.34
• TPSA: 100.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1921.28
LogP ≤ 5	36.34
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 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene?

The IUPAC name of 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene (CID 160869075) is 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene.

What is the SMILES notation for 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene?

The canonical SMILES for 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6cccc7c6c5c3n47)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc6c7cc(-n8c9ccccc9c9ccccc98)ccc7c7cccc8c7c6c5n8c4c3)n2)cc1.c1ccc2c(c1)sc1c(-c3ccc4c(c3)c3ccc5c6ccccc6n6c7cccc4c7c3c56)cccc12.

What is the InChIKey of 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene?

The InChIKey is SLNFGHKKEZYEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H29N5.C36H19NS/c1-3-12-30(13-4-1)49-52-50(31-14-5-2-6-15-31)54-51(53-49)32-22-27-44-41(28-32)39-26-25-38-40-29-33(55-42-19-9-7-16-35(42)36-17-8-10-20-43(36)55)23-24-34(40)37-18-11-21-45-46(37)47(38)48(39)56(44)45;1-3-12-30(13-4-1)49-52-50(31-14-5-2-6-15-31)54-51(53-49)32-22-24-37-40-27-26-39-41-29-33(55-42-19-9-7-16-35(42)36-17-8-10-20-43(36)55)23-25-34(41)38-18-11-21-44-46(38)47(39)48(40)56(44)45(37)28-32;1-3-12-30-23(7-1)27-18-17-26-29-19-20(21-9-5-11-28-24-8-2-4-14-32(24)38-36(21)28)15-16-22(29)25-10-6-13-31-33(25)34(26)35(27)37(30)31/h2*1-29H;1-19H.

What are the key properties of 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene?

11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene has a molecular weight of 1921.28 g/mol, XLogP of 36.34, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-carbazol-9-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18(23),19,21-dodecaene;11-dibenzothiophen-4-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaene is sourced from PubChem (CID 160869075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).