9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole

C78H60N2Si — CID 153448418

About 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole

9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole (PubChem CID 153448418) has the molecular formula C78H60N2Si and a molecular weight of 1053.44 g/mol. Its IUPAC name is 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole
• PubChem CID: 153448418
• Molecular Formula: C78H60N2Si
• Molecular Weight: 1053.44 g/mol
• Exact Mass: 1052.45
• IUPAC Name: 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole
• SMILES: Cc1ccc2c(c1)c1cccc(-c3ccccc3)c1n2-c1cc2c(c3ccccc13)-c1cc3c(cc1C2(C)C)-c1cc2c(cc1[Si]3(C)C)-c1c(cc(-n3c4ccc(C)cc4c4cccc(-c5ccccc5)c43)c3ccccc13)C2(C)C
• InChI: InChI=1S/C78H60N2Si/c1-45-33-35-67-57(37-45)55-31-19-29-49(47-21-11-9-12-22-47)75(55)79(67)69-43-65-73(53-27-17-15-25-51(53)69)61-41-71-59(39-63(61)77(65,3)4)60-40-64-62(42-72(60)81(71,7)8)74-54-28-18-16-26-52(54)70(44-66(74)78(64,5)6)80-68-36-34-46(2)38-58(68)56-32-20-30-50(76(56)80)48-23-13-10-14-24-48/h9-44H,1-8H3
• InChIKey: KGJCLEMCUJLOEV-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1053.44
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole?

The IUPAC name of 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole (CID 153448418) is 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole.

What is the SMILES notation for 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole?

The canonical SMILES for 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole is Cc1ccc2c(c1)c1cccc(-c3ccccc3)c1n2-c1cc2c(c3ccccc13)-c1cc3c(cc1C2(C)C)-c1cc2c(cc1[Si]3(C)C)-c1c(cc(-n3c4ccc(C)cc4c4cccc(-c5ccccc5)c43)c3ccccc13)C2(C)C.

What is the InChIKey of 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole?

The InChIKey is KGJCLEMCUJLOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60N2Si/c1-45-33-35-67-57(37-45)55-31-19-29-49(47-21-11-9-12-22-47)75(55)79(67)69-43-65-73(53-27-17-15-25-51(53)69)61-41-71-59(39-63(61)77(65,3)4)60-40-64-62(42-72(60)81(71,7)8)74-54-28-18-16-26-52(54)70(44-66(74)78(64,5)6)80-68-36-34-46(2)38-58(68)56-32-20-30-50(76(56)80)48-23-13-10-14-24-48/h9-44H,1-8H3.

What are the key properties of 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole?

9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole has a molecular weight of 1053.44 g/mol, XLogP of 19.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole is sourced from PubChem (CID 153448418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).