11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane

C168H110N14Si — CID 162149818

About 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane

11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane (PubChem CID 162149818) has the molecular formula C168H110N14Si and a molecular weight of 2352.91 g/mol. Its IUPAC name is 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane.

Molecular Properties

• Compound Name: 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane
• PubChem CID: 162149818
• Molecular Formula: C168H110N14Si
• Molecular Weight: 2352.91 g/mol
• Exact Mass: 2350.88
• IUPAC Name: 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane
• SMILES: CC1(C)c2ccccc2N2c3nc(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3-c3cccc1c32.c1ccc(-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc3c2-c2ccccc2-c2cccc4c5ccccc5n-3c24)cc1.c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccccc43)nc3c2-c2ccccc2-c2cccc4c5ccccc5n-3c24)cc1.c1ccc(-c2nc(-c3cccnc3)c3c(n2)-n2c4ccccc4c4cccc(c42)-c2ccccc2-3)cc1
• InChI: InChI=1S/C52H35N3Si.C46H28N4.C37H27N3.C33H20N4/c1-5-18-36(19-6-1)49-48-44-28-14-13-26-42(44)45-29-17-30-46-43-27-15-16-31-47(43)55(50(45)46)52(48)54-51(53-49)37-32-34-41(35-33-37)56(38-20-7-2-8-21-38,39-22-9-3-10-23-39)40-24-11-4-12-25-40;1-2-15-29(16-3-1)43-42-34-21-5-4-17-30(34)35-23-14-24-36-33-20-8-12-27-40(33)50(44(35)36)46(42)48-45(47-43)37-22-9-13-28-41(37)49-38-25-10-6-18-31(38)32-19-7-11-26-39(32)49;1-37(2)29-21-11-12-23-31(29)40-34-28(20-13-22-30(34)37)26-18-9-10-19-27(26)32-33(24-14-5-3-6-15-24)38-35(39-36(32)40)25-16-7-4-8-17-25;1-2-10-21(11-3-1)32-35-30(22-12-9-19-34-20-22)29-25-15-5-4-13-23(25)26-16-8-17-27-24-14-6-7-18-28(24)37(31(26)27)33(29)36-32/h1-35H;1-28H;3-23H,1-2H3;1-20H
• InChIKey: ZLAZAHXZCDPHGC-UHFFFAOYSA-N
• XLogP: 39.10
• TPSA: 138.97 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2352.91
LogP ≤ 5	39.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane?

The IUPAC name of 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane (CID 162149818) is 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane.

What is the SMILES notation for 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane?

The canonical SMILES for 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane is CC1(C)c2ccccc2N2c3nc(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3-c3cccc1c32.c1ccc(-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc3c2-c2ccccc2-c2cccc4c5ccccc5n-3c24)cc1.c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccccc43)nc3c2-c2ccccc2-c2cccc4c5ccccc5n-3c24)cc1.c1ccc(-c2nc(-c3cccnc3)c3c(n2)-n2c4ccccc4c4cccc(c42)-c2ccccc2-3)cc1.

What is the InChIKey of 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane?

The InChIKey is ZLAZAHXZCDPHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3Si.C46H28N4.C37H27N3.C33H20N4/c1-5-18-36(19-6-1)49-48-44-28-14-13-26-42(44)45-29-17-30-46-43-27-15-16-31-47(43)55(50(45)46)52(48)54-51(53-49)37-32-34-41(35-33-37)56(38-20-7-2-8-21-38,39-22-9-3-10-23-39)40-24-11-4-12-25-40;1-2-15-29(16-3-1)43-42-34-21-5-4-17-30(34)35-23-14-24-36-33-20-8-12-27-40(33)50(44(35)36)46(42)48-45(47-43)37-22-9-13-28-41(37)49-38-25-10-6-18-31(38)32-19-7-11-26-39(32)49;1-37(2)29-21-11-12-23-31(29)40-34-28(20-13-22-30(34)37)26-18-9-10-19-27(26)32-33(24-14-5-3-6-15-24)38-35(39-36(32)40)25-16-7-4-8-17-25;1-2-10-21(11-3-1)32-35-30(22-12-9-19-34-20-22)29-25-15-5-4-13-23(25)26-16-8-17-27-24-14-6-7-18-28(24)37(31(26)27)33(29)36-32/h1-35H;1-28H;3-23H,1-2H3;1-20H.

What are the key properties of 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane?

11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane has a molecular weight of 2352.91 g/mol, XLogP of 39.10, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane is sourced from PubChem (CID 162149818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).