[24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane

C71H57N5Si — CID 174002409

About [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane

[24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane (PubChem CID 174002409) has the molecular formula C71H57N5Si and a molecular weight of 1008.36 g/mol. Its IUPAC name is [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane
• PubChem CID: 174002409
• Molecular Formula: C71H57N5Si
• Molecular Weight: 1008.36 g/mol
• Exact Mass: 1007.44
• IUPAC Name: [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3cc4cc(c5ccccc5c5nc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)nc(n5)c5ccccc45)c3n(-c3ccccc3)c2c1
• InChI: InChI=1S/C71H57N5Si/c1-70(2,3)47-35-39-63-59(43-47)60-44-48(71(4,5)6)36-40-64(60)75(63)50-37-38-56-62-42-46-41-61(66(62)76(65(56)45-50)49-23-11-7-12-24-49)55-32-20-22-34-58(55)68-72-67(57-33-21-19-31-54(46)57)73-69(74-68)77(51-25-13-8-14-26-51,52-27-15-9-16-28-52)53-29-17-10-18-30-53/h7-45H,1-6H3
• InChIKey: FJWOIVVEJHTLNJ-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.36
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane?

The IUPAC name of [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane (CID 174002409) is [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane.

What is the SMILES notation for [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane?

The canonical SMILES for [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3cc4cc(c5ccccc5c5nc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)nc(n5)c5ccccc45)c3n(-c3ccccc3)c2c1.

What is the InChIKey of [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane?

The InChIKey is FJWOIVVEJHTLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H57N5Si/c1-70(2,3)47-35-39-63-59(43-47)60-44-48(71(4,5)6)36-40-64(60)75(63)50-37-38-56-62-42-46-41-61(66(62)76(65(56)45-50)49-23-11-7-12-24-49)55-32-20-22-34-58(55)68-72-67(57-33-21-19-31-54(46)57)73-69(74-68)77(51-25-13-8-14-26-51,52-27-15-9-16-28-52)53-29-17-10-18-30-53/h7-45H,1-6H3.

What are the key properties of [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane?

[24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane has a molecular weight of 1008.36 g/mol, XLogP of 15.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane is sourced from PubChem (CID 174002409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).