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

C102H82N4Si2 — CID 169031743

IUPAC[3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cc([Si](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc([Si](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C102H82N4Si2/c1-101(2,3)80-53-63-97-92(67-80)93-68-81(102(4,5)6)54-64-98(93)105(97)99-70-94(103-100(104-99)106-95-43-27-25-41-90(95)91-42-26-28-44-96(91)106)79-65-88(107(82-37-21-11-22-38-82,84-55-45-75(46-56-84)71-29-13-7-14-30-71)85-57-47-76(48-58-85)72-31-15-8-16-32-72)69-89(66-79)108(83-39-23-12-24-40-83,86-59-49-77(50-60-86)73-33-17-9-18-34-73)87-61-51-78(52-62-87)74-35-19-10-20-36-74/h7-70H,1-6H3
InChIKeyVKNQEKFVDBGNDT-UHFFFAOYSA-N
MW1419.98 g/mol
LogP20.36
Rot. Bonds15

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

[3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane (PubChem CID 169031743) has the molecular formula C102H82N4Si2 and a molecular weight of 1419.98 g/mol. Its IUPAC name is [3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane.

Molecular Properties

Compound Name[3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane
PubChem CID169031743
Molecular FormulaC102H82N4Si2
Molecular Weight1419.98 g/mol
Exact Mass1418.61
IUPAC Name[3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cc([Si](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc([Si](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C102H82N4Si2/c1-101(2,3)80-53-63-97-92(67-80)93-68-81(102(4,5)6)54-64-98(93)105(97)99-70-94(103-100(104-99)106-95-43-27-25-41-90(95)91-42-26-28-44-96(91)106)79-65-88(107(82-37-21-11-22-38-82,84-55-45-75(46-56-84)71-29-13-7-14-30-71)85-57-47-76(48-58-85)72-31-15-8-16-32-72)69-89(66-79)108(83-39-23-12-24-40-83,86-59-49-77(50-60-86)73-33-17-9-18-34-73)87-61-51-78(52-62-87)74-35-19-10-20-36-74/h7-70H,1-6H3
InChIKeyVKNQEKFVDBGNDT-UHFFFAOYSA-N
XLogP20.36
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001419.98
LogP ≤ 520.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[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)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031725
[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-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane
CID 162485372
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-triphenylsilane
CID 169031888
[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
[4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 169282069
[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-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane
CID 169031756

Frequently Asked Questions

What is the IUPAC name of [3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane?
The IUPAC name of [3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane (CID 169031743) is [3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane.
What is the SMILES notation for [3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane?
The canonical SMILES for [3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cc([Si](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc([Si](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of [3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane?
The InChIKey is VKNQEKFVDBGNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H82N4Si2/c1-101(2,3)80-53-63-97-92(67-80)93-68-81(102(4,5)6)54-64-98(93)105(97)99-70-94(103-100(104-99)106-95-43-27-25-41-90(95)91-42-26-28-44-96(91)106)79-65-88(107(82-37-21-11-22-38-82,84-55-45-75(46-56-84)71-29-13-7-14-30-71)85-57-47-76(48-58-85)72-31-15-8-16-32-72)69-89(66-79)108(83-39-23-12-24-40-83,86-59-49-77(50-60-86)73-33-17-9-18-34-73)87-61-51-78(52-62-87)74-35-19-10-20-36-74/h7-70H,1-6H3.
What are the key properties of [3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane?
[3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane has a molecular weight of 1419.98 g/mol, XLogP of 20.36, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)pyrimidin-4-yl]-5-[phenyl-bis(4-phenylphenyl)silyl]phenyl]-phenyl-bis(4-phenylphenyl)silane is sourced from PubChem (CID 169031743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).