18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C57H36N6Si — CID 177074516

IUPAC18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc([Si]2(c3ccccc3)c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3-n3c4ccccc4c4cccc2c43)cc1
InChIInChI=1S/C57H36N6Si/c1-3-19-37(20-4-1)64(38-21-5-2-6-22-38)51-35-17-28-44-43-27-11-16-34-50(43)63(53(44)51)54-45(29-18-36-52(54)64)55-58-56(61-46-30-12-7-23-39(46)40-24-8-13-31-47(40)61)60-57(59-55)62-48-32-14-9-25-41(48)42-26-10-15-33-49(42)62/h1-36H
InChIKeyAHZLUDHIEQLAQF-UHFFFAOYSA-N
MW833.04 g/mol
LogP10.52
Rot. Bonds5

About 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 177074516) has the molecular formula C57H36N6Si and a molecular weight of 833.04 g/mol. Its IUPAC name is 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID177074516
Molecular FormulaC57H36N6Si
Molecular Weight833.04 g/mol
Exact Mass832.28
IUPAC Name18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc([Si]2(c3ccccc3)c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3-n3c4ccccc4c4cccc2c43)cc1
InChIInChI=1S/C57H36N6Si/c1-3-19-37(20-4-1)64(38-21-5-2-6-22-38)51-35-17-28-44-43-27-11-16-34-50(43)63(53(44)51)54-45(29-18-36-52(54)64)55-58-56(61-46-30-12-7-23-39(46)40-24-8-13-31-47(40)61)60-57(59-55)62-48-32-14-9-25-41(48)42-26-10-15-33-49(42)62/h1-36H
InChIKeyAHZLUDHIEQLAQF-UHFFFAOYSA-N
XLogP10.52
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.04
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole
CID 177069984
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole
CID 164757364
13-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-phenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 177074538
5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 177074523
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
8-[4-carbazol-9-yl-6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-6-pyrido[2,3-b]indol-9-yl-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-pyrido[2,3-b]indol-9-yl-6-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160623750
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole
CID 178064886
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole
CID 171450028
11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 166512002
24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-20,22,29-triazaoctacyclo[18.13.1.02,7.08,13.014,19.021,29.023,28.030,34]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,21,23,25,27,30,32-hexadecaene
CID 168811097
9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
CID 164739104

Frequently Asked Questions

What is the IUPAC name of 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 177074516) is 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc([Si]2(c3ccccc3)c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3-n3c4ccccc4c4cccc2c43)cc1.
What is the InChIKey of 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is AHZLUDHIEQLAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6Si/c1-3-19-37(20-4-1)64(38-21-5-2-6-22-38)51-35-17-28-44-43-27-11-16-34-50(43)63(53(44)51)54-45(29-18-36-52(54)64)55-58-56(61-46-30-12-7-23-39(46)40-24-8-13-31-47(40)61)60-57(59-55)62-48-32-14-9-25-41(48)42-26-10-15-33-49(42)62/h1-36H.
What are the key properties of 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 833.04 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 177074516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).