[3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane

C54H37N5Si — CID 163774722

IUPAC[3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc(N2c3ccccc3Cc3ccccc32)n1
InChIInChI=1S/C54H37N5Si/c1-55-41-32-33-52-47(36-41)46-28-13-16-31-51(46)59(52)54-56-48(37-53(57-54)58-49-29-14-11-18-39(49)34-40-19-12-15-30-50(40)58)38-20-17-27-45(35-38)60(42-21-5-2-6-22-42,43-23-7-3-8-24-43)44-25-9-4-10-26-44/h2-33,35-37H,34H2
InChIKeyBJXYNLHBEXUYCX-UHFFFAOYSA-N
MW784.01 g/mol
LogP10.54
Rot. Bonds7

About [3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane

[3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane (PubChem CID 163774722) has the molecular formula C54H37N5Si and a molecular weight of 784.01 g/mol. Its IUPAC name is [3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
PubChem CID163774722
Molecular FormulaC54H37N5Si
Molecular Weight784.01 g/mol
Exact Mass783.28
IUPAC Name[3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc(N2c3ccccc3Cc3ccccc32)n1
InChIInChI=1S/C54H37N5Si/c1-55-41-32-33-52-47(36-41)46-28-13-16-31-51(46)59(52)54-56-48(37-53(57-54)58-49-29-14-11-18-39(49)34-40-19-12-15-30-50(40)58)38-20-17-27-45(35-38)60(42-21-5-2-6-22-42,43-23-7-3-8-24-43)44-25-9-4-10-26-44/h2-33,35-37H,34H2
InChIKeyBJXYNLHBEXUYCX-UHFFFAOYSA-N
XLogP10.54
TPSA38.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.01
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-carbazol-9-yl-6-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836332
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[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
[3-[2-(3-deuterio-6-methylcarbazol-9-yl)-6-(3,6-dideuteriocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 164963232
2-(3-isocyanocarbazol-9-yl)-5-(3-triphenylsilylphenyl)benzonitrile
CID 153318850
[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 169282027
[3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
CID 169031856
[3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane
CID 158779679
2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine
CID 162774006
[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 169282017
[3-[2,6-bis(3-methylcarbazol-9-yl)pyrimidin-4-yl]-5-methylphenyl]-triphenylsilane
CID 174181949

Frequently Asked Questions

What is the IUPAC name of [3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane (CID 163774722) is [3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc(N2c3ccccc3Cc3ccccc32)n1.
What is the InChIKey of [3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane?
The InChIKey is BJXYNLHBEXUYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N5Si/c1-55-41-32-33-52-47(36-41)46-28-13-16-31-51(46)59(52)54-56-48(37-53(57-54)58-49-29-14-11-18-39(49)34-40-19-12-15-30-50(40)58)38-20-17-27-45(35-38)60(42-21-5-2-6-22-42,43-23-7-3-8-24-43)44-25-9-4-10-26-44/h2-33,35-37H,34H2.
What are the key properties of [3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane?
[3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane has a molecular weight of 784.01 g/mol, XLogP of 10.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(9H-acridin-10-yl)-2-(3-isocyanocarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 163774722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).