19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene

C56H37N3O3Si — CID 163777928

About 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene

19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene (PubChem CID 163777928) has the molecular formula C56H37N3O3Si and a molecular weight of 828.02 g/mol. Its IUPAC name is 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene.

Molecular Properties

• Compound Name: 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene
• PubChem CID: 163777928
• Molecular Formula: C56H37N3O3Si
• Molecular Weight: 828.02 g/mol
• Exact Mass: 827.26
• IUPAC Name: 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene
• SMILES: Cc1ccc2c(c1)Oc1ccc3c4c1N2c1cc(-n2c5ccccc5c5ccccc52)cc2c1[Si]4(c1ccccc1)c1c(cc(N4c5ccccc5C5C=CC=CC54C)cc1O3)O2
• InChI: InChI=1S/C56H37N3O3Si/c1-33-23-24-44-48(28-33)60-46-25-26-47-55-52(46)58(44)45-29-34(57-41-20-9-6-16-37(41)38-17-7-10-21-42(38)57)30-49-53(45)63(55,36-14-4-3-5-15-36)54-50(61-47)31-35(32-51(54)62-49)59-43-22-11-8-18-39(43)40-19-12-13-27-56(40,59)2/h3-32,40H,1-2H3
• InChIKey: MMCGJFUBAHOIMC-UHFFFAOYSA-N
• XLogP: 11.69
• TPSA: 39.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.02
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene?

The IUPAC name of 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene (CID 163777928) is 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene.

What is the SMILES notation for 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene?

The canonical SMILES for 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene is Cc1ccc2c(c1)Oc1ccc3c4c1N2c1cc(-n2c5ccccc5c5ccccc52)cc2c1[Si]4(c1ccccc1)c1c(cc(N4c5ccccc5C5C=CC=CC54C)cc1O3)O2.

What is the InChIKey of 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene?

The InChIKey is MMCGJFUBAHOIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3O3Si/c1-33-23-24-44-48(28-33)60-46-25-26-47-55-52(46)58(44)45-29-34(57-41-20-9-6-16-37(41)38-17-7-10-21-42(38)57)30-49-53(45)63(55,36-14-4-3-5-15-36)54-50(61-47)31-35(32-51(54)62-49)59-43-22-11-8-18-39(43)40-19-12-13-27-56(40,59)2/h3-32,40H,1-2H3.

What are the key properties of 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene?

19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene has a molecular weight of 828.02 g/mol, XLogP of 11.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene is sourced from PubChem (CID 163777928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).