5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole

C136H91N11O3Si3 — CID 159013285

IUPAC5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)[Si](c3ccccc3)(c3ccccc3)c3ccccc3O5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)[Si](c3ccccc3)(c3ccccc3)c3ccccc3O5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3[Si]5(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C46H31N3OSi.2C45H30N4OSi/c1-5-17-32(18-6-1)37-31-38(33-19-7-2-8-20-33)48-46(47-37)49-39-26-14-13-25-36(39)44-40(49)29-30-43-45(44)50-41-27-15-16-28-42(41)51(43,34-21-9-3-10-22-34)35-23-11-4-12-24-35;1-5-17-31(18-6-1)43-46-44(32-19-7-2-8-20-32)48-45(47-43)49-37-26-14-13-25-35(37)36-29-30-40-42(41(36)49)50-38-27-15-16-28-39(38)51(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-5-17-31(18-6-1)43-46-44(32-19-7-2-8-20-32)48-45(47-43)49-36-26-14-13-25-35(36)41-37(49)29-30-40-42(41)50-38-27-15-16-28-39(38)51(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-31H;2*1-30H
InChIKeyJSTQHUPPKNZNPW-UHFFFAOYSA-N
MW2011.56 g/mol
LogP23.96
Rot. Bonds15

About 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole

5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole (PubChem CID 159013285) has the molecular formula C136H91N11O3Si3 and a molecular weight of 2011.56 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole
PubChem CID159013285
Molecular FormulaC136H91N11O3Si3
Molecular Weight2011.56 g/mol
Exact Mass2009.66
IUPAC Name5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)[Si](c3ccccc3)(c3ccccc3)c3ccccc3O5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)[Si](c3ccccc3)(c3ccccc3)c3ccccc3O5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3[Si]5(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C46H31N3OSi.2C45H30N4OSi/c1-5-17-32(18-6-1)37-31-38(33-19-7-2-8-20-33)48-46(47-37)49-39-26-14-13-25-36(39)44-40(49)29-30-43-45(44)50-41-27-15-16-28-42(41)51(43,34-21-9-3-10-22-34)35-23-11-4-12-24-35;1-5-17-31(18-6-1)43-46-44(32-19-7-2-8-20-32)48-45(47-43)49-37-26-14-13-25-35(37)36-29-30-40-42(41(36)49)50-38-27-15-16-28-39(38)51(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-5-17-31(18-6-1)43-46-44(32-19-7-2-8-20-32)48-45(47-43)49-36-26-14-13-25-35(36)41-37(49)29-30-40-42(41)50-38-27-15-16-28-39(38)51(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-31H;2*1-30H
InChIKeyJSTQHUPPKNZNPW-UHFFFAOYSA-N
XLogP23.96
TPSA145.60 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002011.56
LogP ≤ 523.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole with MolForge

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Related Compounds

2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164757371
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 157494844
3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile
CID 140947494
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 170268493
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
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 161105054
11-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169036862
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 88917516
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937291
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
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5-[4-phenyl-6-[11-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 88917460

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole?
The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole (CID 159013285) is 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole.
What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole?
The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)[Si](c3ccccc3)(c3ccccc3)c3ccccc3O5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)[Si](c3ccccc3)(c3ccccc3)c3ccccc3O5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3[Si]5(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole?
The InChIKey is JSTQHUPPKNZNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3OSi.2C45H30N4OSi/c1-5-17-32(18-6-1)37-31-38(33-19-7-2-8-20-33)48-46(47-37)49-39-26-14-13-25-36(39)44-40(49)29-30-43-45(44)50-41-27-15-16-28-42(41)51(43,34-21-9-3-10-22-34)35-23-11-4-12-24-35;1-5-17-31(18-6-1)43-46-44(32-19-7-2-8-20-32)48-45(47-43)49-37-26-14-13-25-35(37)36-29-30-40-42(41(36)49)50-38-27-15-16-28-39(38)51(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-5-17-31(18-6-1)43-46-44(32-19-7-2-8-20-32)48-45(47-43)49-36-26-14-13-25-35(36)41-37(49)29-30-40-42(41)50-38-27-15-16-28-39(38)51(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-31H;2*1-30H.
What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole?
5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole has a molecular weight of 2011.56 g/mol, XLogP of 23.96, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole is sourced from PubChem (CID 159013285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).