[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane

C94H67N3Si2 — CID 169031756

IUPAC[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane
SMILESc1ccc(-c2ccc([Si](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-n5c6ccccc6c6ccccc65)n4)cc([Si](c4ccccc4)(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C94H67N3Si2/c1-8-27-68(28-9-1)73-47-55-82(56-48-73)98(80-39-18-6-19-40-80,83-57-49-74(50-58-83)69-29-10-2-11-30-69)86-64-79(94-95-90(78-38-26-37-77(63-78)72-35-16-5-17-36-72)67-93(96-94)97-91-45-24-22-43-88(91)89-44-23-25-46-92(89)97)65-87(66-86)99(81-41-20-7-21-42-81,84-59-51-75(52-60-84)70-31-12-3-13-32-70)85-61-53-76(54-62-85)71-33-14-4-15-34-71/h1-67H
InChIKeyQPAJGLHTYITWTR-UHFFFAOYSA-N
MW1294.76 g/mol
LogP18.00
Rot. Bonds16

About [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane

[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane (PubChem CID 169031756) has the molecular formula C94H67N3Si2 and a molecular weight of 1294.76 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane.

Molecular Properties

Compound Name[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane
PubChem CID169031756
Molecular FormulaC94H67N3Si2
Molecular Weight1294.76 g/mol
Exact Mass1293.49
IUPAC Name[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane
SMILESc1ccc(-c2ccc([Si](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-n5c6ccccc6c6ccccc65)n4)cc([Si](c4ccccc4)(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C94H67N3Si2/c1-8-27-68(28-9-1)73-47-55-82(56-48-73)98(80-39-18-6-19-40-80,83-57-49-74(50-58-83)69-29-10-2-11-30-69)86-64-79(94-95-90(78-38-26-37-77(63-78)72-35-16-5-17-36-72)67-93(96-94)97-91-45-24-22-43-88(91)89-44-23-25-46-92(89)97)65-87(66-86)99(81-41-20-7-21-42-81,84-59-51-75(52-60-84)70-31-12-3-13-32-70)85-61-53-76(54-62-85)71-33-14-4-15-34-71/h1-67H
InChIKeyQPAJGLHTYITWTR-UHFFFAOYSA-N
XLogP18.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001294.76
LogP ≤ 518.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
CID 169031868
[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031827
[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
[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-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[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-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-triphenylsilane
CID 169031888
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 163788873
[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031844
[3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane
CID 168780371
[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(3-phenylphenyl)-λ4-sulfanyl]phenyl]-phenyl-bis(3-phenylphenyl)-λ4-sulfane
CID 170122596

Frequently Asked Questions

What is the IUPAC name of [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane?
The IUPAC name of [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane (CID 169031756) is [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane.
What is the SMILES notation for [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane?
The canonical SMILES for [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-n5c6ccccc6c6ccccc65)n4)cc([Si](c4ccccc4)(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane?
The InChIKey is QPAJGLHTYITWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H67N3Si2/c1-8-27-68(28-9-1)73-47-55-82(56-48-73)98(80-39-18-6-19-40-80,83-57-49-74(50-58-83)69-29-10-2-11-30-69)86-64-79(94-95-90(78-38-26-37-77(63-78)72-35-16-5-17-36-72)67-93(96-94)97-91-45-24-22-43-88(91)89-44-23-25-46-92(89)97)65-87(66-86)99(81-41-20-7-21-42-81,84-59-51-75(52-60-84)70-31-12-3-13-32-70)85-61-53-76(54-62-85)71-33-14-4-15-34-71/h1-67H.
What are the key properties of [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane?
[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane has a molecular weight of 1294.76 g/mol, XLogP of 18.00, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane is sourced from PubChem (CID 169031756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).