3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole

C63H42N4Si — CID 177132563

IUPAC3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2[Si]3(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C63H42N4Si/c1-5-19-43(20-6-1)48-35-40-60-55(41-48)53-29-15-18-32-59(53)68(60,49-36-33-47(34-37-49)63-65-61(45-23-9-3-10-24-45)64-62(66-63)46-25-11-4-12-26-46)50-38-39-58-54(42-50)52-28-14-17-31-57(52)67(58)56-30-16-13-27-51(56)44-21-7-2-8-22-44/h1-42H
InChIKeyAEDONCJFUCMFBM-UHFFFAOYSA-N
MW883.14 g/mol
LogP12.66
Rot. Bonds8

About 3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole

3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 177132563) has the molecular formula C63H42N4Si and a molecular weight of 883.14 g/mol. Its IUPAC name is 3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole
PubChem CID177132563
Molecular FormulaC63H42N4Si
Molecular Weight883.14 g/mol
Exact Mass882.32
IUPAC Name3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2[Si]3(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C63H42N4Si/c1-5-19-43(20-6-1)48-35-40-60-55(41-48)53-29-15-18-32-59(53)68(60,49-36-33-47(34-37-49)63-65-61(45-23-9-3-10-24-45)64-62(66-63)46-25-11-4-12-26-46)50-38-39-58-54(42-50)52-28-14-17-31-57(52)67(58)56-30-16-13-27-51(56)44-21-7-2-8-22-44/h1-42H
InChIKeyAEDONCJFUCMFBM-UHFFFAOYSA-N
XLogP12.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.14
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole
CID 177132548
3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,8-diphenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole
CID 177132574
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
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-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole
CID 177291134
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole
CID 155784537
2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155787173
9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155636664
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-methylphenyl)carbazol-3-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 123634048

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole (CID 177132563) is 3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole is c1ccc(-c2ccc3c(c2)-c2ccccc2[Si]3(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole?
The InChIKey is AEDONCJFUCMFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4Si/c1-5-19-43(20-6-1)48-35-40-60-55(41-48)53-29-15-18-32-59(53)68(60,49-36-33-47(34-37-49)63-65-61(45-23-9-3-10-24-45)64-62(66-63)46-25-11-4-12-26-46)50-38-39-58-54(42-50)52-28-14-17-31-57(52)67(58)56-30-16-13-27-51(56)44-21-7-2-8-22-44/h1-42H.
What are the key properties of 3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole?
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole has a molecular weight of 883.14 g/mol, XLogP of 12.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 177132563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).