11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane

C177H110N16S5Si — CID 158153919

About 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane

11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane (PubChem CID 158153919) has the molecular formula C177H110N16S5Si and a molecular weight of 2649.36 g/mol. Its IUPAC name is 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane.

Molecular Properties

• Compound Name: 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane
• PubChem CID: 158153919
• Molecular Formula: C177H110N16S5Si
• Molecular Weight: 2649.36 g/mol
• Exact Mass: 2646.75
• IUPAC Name: 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane
• SMILES: c1cc(-c2cc3ccccc3c3ccccc23)cc(-n2c3cscc3c3c4ccccc4cnc32)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc(-n2c3cscc3c3c4ccccc4cnc32)c1.c1cc(-c2cccc(-n3c4cscc4c4c5ccccc5cnc43)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3cscc3c3c4ccccc4cnc32)c1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc(-n4c5cscc5c5c6ccccc6cnc54)n3)c2)cc1
• InChI: InChI=1S/C42H29N3SSi.C36H22N4S.C36H21N3S.C33H20N2S.C30H18N4S/c1-4-16-32(17-5-1)47(33-18-6-2-7-19-33,34-20-8-3-9-21-34)35-22-12-15-30(26-35)38-24-13-25-40(44-38)45-39-29-46-28-37(39)41-36-23-11-10-14-31(36)27-43-42(41)45;1-2-12-26-24(9-1)20-37-36-35(26)29-21-41-22-33(29)40(36)34-18-8-15-30(38-34)23-10-7-11-25(19-23)39-31-16-5-3-13-27(31)28-14-4-6-17-32(28)39;1-2-9-24-23(8-1)19-37-36-35(24)31-20-40-21-33(31)39(36)34-15-7-14-32(38-34)22-16-17-29-27-12-4-3-10-25(27)26-11-5-6-13-28(26)30(29)18-22;1-3-12-25-22(8-1)17-29(28-15-6-5-14-27(25)28)21-10-7-11-24(16-21)35-31-20-36-19-30(31)32-26-13-4-2-9-23(26)18-34-33(32)35;1-2-9-20-19(8-1)16-31-30-29(20)23-17-35-18-26(23)34(30)28-15-7-14-27(32-28)33-24-12-5-3-10-21(24)22-11-4-6-13-25(22)33/h1-29H;1-22H;1-21H;1-20H;1-18H
• InChIKey: FVLLQGCXMOVUJZ-UHFFFAOYSA-N
• XLogP: 44.55
• TPSA: 150.52 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2649.36
LogP ≤ 5	44.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane?

The IUPAC name of 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane (CID 158153919) is 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane.

What is the SMILES notation for 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane?

The canonical SMILES for 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane is c1cc(-c2cc3ccccc3c3ccccc23)cc(-n2c3cscc3c3c4ccccc4cnc32)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc(-n2c3cscc3c3c4ccccc4cnc32)c1.c1cc(-c2cccc(-n3c4cscc4c4c5ccccc5cnc43)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3cscc3c3c4ccccc4cnc32)c1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc(-n4c5cscc5c5c6ccccc6cnc54)n3)c2)cc1.

What is the InChIKey of 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane?

The InChIKey is FVLLQGCXMOVUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3SSi.C36H22N4S.C36H21N3S.C33H20N2S.C30H18N4S/c1-4-16-32(17-5-1)47(33-18-6-2-7-19-33,34-20-8-3-9-21-34)35-22-12-15-30(26-35)38-24-13-25-40(44-38)45-39-29-46-28-37(39)41-36-23-11-10-14-31(36)27-43-42(41)45;1-2-12-26-24(9-1)20-37-36-35(26)29-21-41-22-33(29)40(36)34-18-8-15-30(38-34)23-10-7-11-25(19-23)39-31-16-5-3-13-27(31)28-14-4-6-17-32(28)39;1-2-9-24-23(8-1)19-37-36-35(24)31-20-40-21-33(31)39(36)34-15-7-14-32(38-34)22-16-17-29-27-12-4-3-10-25(27)26-11-5-6-13-28(26)30(29)18-22;1-3-12-25-22(8-1)17-29(28-15-6-5-14-27(25)28)21-10-7-11-24(16-21)35-31-20-36-19-30(31)32-26-13-4-2-9-23(26)18-34-33(32)35;1-2-9-20-19(8-1)16-31-30-29(20)23-17-35-18-26(23)34(30)28-15-7-14-27(32-28)33-24-12-5-3-10-21(24)22-11-4-6-13-25(22)33/h1-29H;1-22H;1-21H;1-20H;1-18H.

What are the key properties of 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane?

11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane has a molecular weight of 2649.36 g/mol, XLogP of 44.55, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-carbazol-9-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(3-phenanthren-9-ylphenyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;11-(6-triphenylen-2-yl-2-pyridinyl)-14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaene;triphenyl-[3-[6-(14-thia-9,11-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-2-pyridinyl]phenyl]silane is sourced from PubChem (CID 158153919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).