triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane

C78H50N10Si — CID 155603158

IUPACtriphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane
SMILESc1ccc(C2c3ccccc3-c3ccc4c(nc5n(-c6nc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)nc(-n7c8ccccc8n8c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9nc78)n6)c6ccccc6n45)c32)cc1
InChIInChI=1S/C78H50N10Si/c1-6-25-50(26-7-1)69-59-39-17-16-37-57(59)60-45-47-67-71(70(60)69)79-77-85(67)63-41-20-22-43-65(63)87(77)75-81-74(51-27-24-36-56(49-51)89(53-30-10-3-11-31-53,54-32-12-4-13-33-54)55-34-14-5-15-35-55)82-76(83-75)88-66-44-23-21-42-64(66)86-68-48-46-61-58-38-18-19-40-62(58)84(52-28-8-2-9-29-52)73(61)72(68)80-78(86)88/h1-49,69H
InChIKeyGHEIUGCEPODYGD-UHFFFAOYSA-N
MW1155.41 g/mol
LogP14.66
Rot. Bonds9

About triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane

triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 155603158) has the molecular formula C78H50N10Si and a molecular weight of 1155.41 g/mol. Its IUPAC name is triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane
PubChem CID155603158
Molecular FormulaC78H50N10Si
Molecular Weight1155.41 g/mol
Exact Mass1154.40
IUPAC Nametriphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane
SMILESc1ccc(C2c3ccccc3-c3ccc4c(nc5n(-c6nc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)nc(-n7c8ccccc8n8c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9nc78)n6)c6ccccc6n45)c32)cc1
InChIInChI=1S/C78H50N10Si/c1-6-25-50(26-7-1)69-59-39-17-16-37-57(59)60-45-47-67-71(70(60)69)79-77-85(67)63-41-20-22-43-65(63)87(77)75-81-74(51-27-24-36-56(49-51)89(53-30-10-3-11-31-53,54-32-12-4-13-33-54)55-34-14-5-15-35-55)82-76(83-75)88-66-44-23-21-42-64(66)86-68-48-46-61-58-38-18-19-40-62(58)84(52-28-8-2-9-29-52)73(61)72(68)80-78(86)88/h1-49,69H
InChIKeyGHEIUGCEPODYGD-UHFFFAOYSA-N
XLogP14.66
TPSA88.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.41
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane?
The IUPAC name of triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane (CID 155603158) is triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane.
What is the SMILES notation for triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane?
The canonical SMILES for triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane is c1ccc(C2c3ccccc3-c3ccc4c(nc5n(-c6nc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)nc(-n7c8ccccc8n8c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9nc78)n6)c6ccccc6n45)c32)cc1.
What is the InChIKey of triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane?
The InChIKey is GHEIUGCEPODYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N10Si/c1-6-25-50(26-7-1)69-59-39-17-16-37-57(59)60-45-47-67-71(70(60)69)79-77-85(67)63-41-20-22-43-65(63)87(77)75-81-74(51-27-24-36-56(49-51)89(53-30-10-3-11-31-53,54-32-12-4-13-33-54)55-34-14-5-15-35-55)82-76(83-75)88-66-44-23-21-42-64(66)86-68-48-46-61-58-38-18-19-40-62(58)84(52-28-8-2-9-29-52)73(61)72(68)80-78(86)88/h1-49,69H.
What are the key properties of triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane?
triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 1155.41 g/mol, XLogP of 14.66, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 155603158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).