9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

C81H53N5Si2 — CID 168800187

IUPAC9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c([Si]2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4)cccc32)c([2H])c1[Si]1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C81H53N5Si2/c1-5-26-54(27-6-1)56-48-49-68-67-38-17-23-45-74(67)88(77(68)52-56,59-32-11-4-12-33-59)61-51-57(50-60(53-61)87(58-30-9-3-10-31-58)75-46-24-18-39-69(75)78-62(40-25-47-76(78)87)55-28-7-2-8-29-55)79-82-80(85-70-41-19-13-34-63(70)64-35-14-20-42-71(64)85)84-81(83-79)86-72-43-21-15-36-65(72)66-37-16-22-44-73(66)86/h1-53H/i50D,51D,53D
InChIKeyPXLUITYTCXUUNF-JTMGGLSPSA-N
MW1155.54 g/mol
LogP13.78
Rot. Bonds9

About 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 168800187) has the molecular formula C81H53N5Si2 and a molecular weight of 1155.54 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID168800187
Molecular FormulaC81H53N5Si2
Molecular Weight1155.54 g/mol
Exact Mass1154.40
IUPAC Name9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c([Si]2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4)cccc32)c([2H])c1[Si]1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C81H53N5Si2/c1-5-26-54(27-6-1)56-48-49-68-67-38-17-23-45-74(67)88(77(68)52-56,59-32-11-4-12-33-59)61-51-57(50-60(53-61)87(58-30-9-3-10-31-58)75-46-24-18-39-69(75)78-62(40-25-47-76(78)87)55-28-7-2-8-29-55)79-82-80(85-70-41-19-13-34-63(70)64-35-14-20-42-71(64)85)84-81(83-79)86-72-43-21-15-36-65(72)66-37-16-22-44-73(66)86/h1-53H/i50D,51D,53D
InChIKeyPXLUITYTCXUUNF-JTMGGLSPSA-N
XLogP13.78
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.54
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole 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-[2,4,6-trideuterio-3-[5-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylbenzo[b][1]benzosilol-5-yl]-5-[5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylbenzo[b][1]benzosilol-5-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168800192
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
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
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 157083192
9-[4-carbazol-9-yl-6-[3-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742695
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole
CID 153426549
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 140829869
2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155787286

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 168800187) is 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is [2H]c1c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c([Si]2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4)cccc32)c([2H])c1[Si]1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is PXLUITYTCXUUNF-JTMGGLSPSA-N. The full InChI is InChI=1S/C81H53N5Si2/c1-5-26-54(27-6-1)56-48-49-68-67-38-17-23-45-74(67)88(77(68)52-56,59-32-11-4-12-33-59)61-51-57(50-60(53-61)87(58-30-9-3-10-31-58)75-46-24-18-39-69(75)78-62(40-25-47-76(78)87)55-28-7-2-8-29-55)79-82-80(85-70-41-19-13-34-63(70)64-35-14-20-42-71(64)85)84-81(83-79)86-72-43-21-15-36-65(72)66-37-16-22-44-73(66)86/h1-53H/i50D,51D,53D.
What are the key properties of 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1155.54 g/mol, XLogP of 13.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 168800187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).