[3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane

C70H47N5Si — CID 171467559

IUPAC[3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4ccccc4)c3)ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
InChIInChI=1S/C70H47N5Si/c1-4-23-48(24-5-1)49-25-22-30-52(45-49)76(50-26-6-2-7-27-50,51-28-8-3-9-29-51)53-43-44-68(73-62-37-16-10-31-54(62)55-32-11-17-38-63(55)73)60(46-53)61-47-69(74-64-39-18-12-33-56(64)57-34-13-19-40-65(57)74)72-70(71-61)75-66-41-20-14-35-58(66)59-36-15-21-42-67(59)75/h1-47H/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D
InChIKeyYNUQNRDAZPJBRS-YHUJQMTESA-N
MW1010.41 g/mol
LogP14.48
Rot. Bonds9

About [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane

[3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 171467559) has the molecular formula C70H47N5Si and a molecular weight of 1010.41 g/mol. Its IUPAC name is [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

Compound Name[3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane
PubChem CID171467559
Molecular FormulaC70H47N5Si
Molecular Weight1010.41 g/mol
Exact Mass1009.51
IUPAC Name[3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4ccccc4)c3)ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
InChIInChI=1S/C70H47N5Si/c1-4-23-48(24-5-1)49-25-22-30-52(45-49)76(50-26-6-2-7-27-50,51-28-8-3-9-29-51)53-43-44-68(73-62-37-16-10-31-54(62)55-32-11-17-38-63(55)73)60(46-53)61-47-69(74-64-39-18-12-33-56(64)57-34-13-19-40-65(57)74)72-70(71-61)75-66-41-20-14-35-58(66)59-36-15-21-42-67(59)75/h1-47H/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D
InChIKeyYNUQNRDAZPJBRS-YHUJQMTESA-N
XLogP14.48
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.41
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane with MolForge

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Related Compounds

[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-triphenylsilane
CID 171467517
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-bis(2,3,4,5,6-pentadeuteriophenyl)-phenylsilane
CID 164843272
9-[2-carbazol-9-yl-6-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)pyrimidin-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578640
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 169031891
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 169031810
triphenyl-[2,3,4,5-tetradeuterio-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]silane
CID 164843179
bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[2,3,4,6-tetradeuterio-5-[5-deuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
CID 164843238
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267965
triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane
CID 177070048
[3-[2-(3-deuterio-6-methylcarbazol-9-yl)-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 164963232
triphenyl-[2,3,4,6-tetradeuterio-5-[4-[2-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)-5-triphenylsilylphenyl]-6-(2-triphenylsilylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
CID 171467495

Frequently Asked Questions

What is the IUPAC name of [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane?
The IUPAC name of [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane (CID 171467559) is [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane.
What is the SMILES notation for [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane?
The canonical SMILES for [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4ccccc4)c3)ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1.
What is the InChIKey of [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane?
The InChIKey is YNUQNRDAZPJBRS-YHUJQMTESA-N. The full InChI is InChI=1S/C70H47N5Si/c1-4-23-48(24-5-1)49-25-22-30-52(45-49)76(50-26-6-2-7-27-50,51-28-8-3-9-29-51)53-43-44-68(73-62-37-16-10-31-54(62)55-32-11-17-38-63(55)73)60(46-53)61-47-69(74-64-39-18-12-33-56(64)57-34-13-19-40-65(57)74)72-70(71-61)75-66-41-20-14-35-58(66)59-36-15-21-42-67(59)75/h1-47H/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D.
What are the key properties of [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane?
[3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 1010.41 g/mol, XLogP of 14.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 171467559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).