24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene

C73H44N6SSi — CID 140927032

About 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene

24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene (PubChem CID 140927032) has the molecular formula C73H44N6SSi and a molecular weight of 1065.35 g/mol. Its IUPAC name is 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene.

Molecular Properties

• Compound Name: 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene
• PubChem CID: 140927032
• Molecular Formula: C73H44N6SSi
• Molecular Weight: 1065.35 g/mol
• Exact Mass: 1064.31
• IUPAC Name: 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene
• SMILES: c1ccc([Si]2(c3ccccc3)c3cc4ccccc4cc3N(c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c3cc4sc5cc6c7ccccc7c7ccccc7c6cc5c4cc32)cc1
• InChI: InChI=1S/C73H44N6SSi/c1-3-23-47(24-4-1)81(48-25-5-2-6-26-48)69-40-46-22-8-7-21-45(46)39-65(69)79(66-44-68-60(43-70(66)81)59-41-57-51-29-11-9-27-49(51)50-28-10-12-30-52(50)58(57)42-67(59)80-68)73-75-71(77-61-35-17-13-31-53(61)54-32-14-18-36-62(54)77)74-72(76-73)78-63-37-19-15-33-55(63)56-34-16-20-38-64(56)78/h1-44H
• InChIKey: UJINPDGBYKZFHI-UHFFFAOYSA-N
• XLogP: 16.21
• TPSA: 51.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.35
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene?

The IUPAC name of 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene (CID 140927032) is 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene.

What is the SMILES notation for 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene?

The canonical SMILES for 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene is c1ccc([Si]2(c3ccccc3)c3cc4ccccc4cc3N(c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c3cc4sc5cc6c7ccccc7c7ccccc7c6cc5c4cc32)cc1.

What is the InChIKey of 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene?

The InChIKey is UJINPDGBYKZFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N6SSi/c1-3-23-47(24-4-1)81(48-25-5-2-6-26-48)69-40-46-22-8-7-21-45(46)39-65(69)79(66-44-68-60(43-70(66)81)59-41-57-51-29-11-9-27-49(51)50-28-10-12-30-52(50)58(57)42-67(59)80-68)73-75-71(77-61-35-17-13-31-53(61)54-32-14-18-36-62(54)77)74-72(76-73)78-63-37-19-15-33-55(63)56-34-16-20-38-64(56)78/h1-44H.

What are the key properties of 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene?

24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene has a molecular weight of 1065.35 g/mol, XLogP of 16.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-35,35-diphenyl-20-thia-24-aza-35-silanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene is sourced from PubChem (CID 140927032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).