[3-(24-carbazol-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)phenyl]-triphenylsilane

C69H45N5Si — CID 174002428

About [3-(24-carbazol-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)phenyl]-triphenylsilane

[3-(24-carbazol-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)phenyl]-triphenylsilane (PubChem CID 174002428) has the molecular formula C69H45N5Si and a molecular weight of 972.24 g/mol. Its IUPAC name is [3-(24-carbazol-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)phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-(24-carbazol-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)phenyl]-triphenylsilane
• PubChem CID: 174002428
• Molecular Formula: C69H45N5Si
• Molecular Weight: 972.24 g/mol
• Exact Mass: 971.34
• IUPAC Name: [3-(24-carbazol-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)phenyl]-triphenylsilane
• SMILES: c1ccc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3cc4cc(c5ccccc5c5nc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)nc(n5)c5ccccc45)c32)cc1
• InChI: InChI=1S/C69H45N5Si/c1-5-23-48(24-6-1)74-65-45-49(73-63-38-19-17-34-56(63)57-35-18-20-39-64(57)73)40-41-58(65)62-44-47-43-61(66(62)74)55-33-14-16-37-60(55)69-71-67(70-68(72-69)59-36-15-13-32-54(47)59)46-22-21-31-53(42-46)75(50-25-7-2-8-26-50,51-27-9-3-10-28-51)52-29-11-4-12-30-52/h1-45H
• InChIKey: KCZJUPFAMKPVDV-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.24
LogP ≤ 5	14.29
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 [3-(24-carbazol-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)phenyl]-triphenylsilane?

The IUPAC name of [3-(24-carbazol-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)phenyl]-triphenylsilane (CID 174002428) is [3-(24-carbazol-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)phenyl]-triphenylsilane.

What is the SMILES notation for [3-(24-carbazol-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)phenyl]-triphenylsilane?

The canonical SMILES for [3-(24-carbazol-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)phenyl]-triphenylsilane is c1ccc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3cc4cc(c5ccccc5c5nc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)nc(n5)c5ccccc45)c32)cc1.

What is the InChIKey of [3-(24-carbazol-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)phenyl]-triphenylsilane?

The InChIKey is KCZJUPFAMKPVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5Si/c1-5-23-48(24-6-1)74-65-45-49(73-63-38-19-17-34-56(63)57-35-18-20-39-64(57)73)40-41-58(65)62-44-47-43-61(66(62)74)55-33-14-16-37-60(55)69-71-67(70-68(72-69)59-36-15-13-32-54(47)59)46-22-21-31-53(42-46)75(50-25-7-2-8-26-50,51-27-9-3-10-28-51)52-29-11-4-12-30-52/h1-45H.

What are the key properties of [3-(24-carbazol-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)phenyl]-triphenylsilane?

[3-(24-carbazol-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)phenyl]-triphenylsilane has a molecular weight of 972.24 g/mol, XLogP of 14.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(24-carbazol-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)phenyl]-triphenylsilane is sourced from PubChem (CID 174002428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).