[6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane

C70H46N2Si — CID 149001944

IUPAC[6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(c2)c3c45)cc1
InChIInChI=1S/C70H46N2Si/c1-4-18-53(19-5-1)73(54-20-6-2-7-21-54,55-22-8-3-9-23-55)56-44-49-36-42-61-63(47-32-38-51(39-33-47)71-65-28-14-10-24-57(65)58-25-11-15-29-66(58)71)46-64(62-43-37-50(45-56)69(49)70(61)62)48-34-40-52(41-35-48)72-67-30-16-12-26-59(67)60-27-13-17-31-68(60)72/h1-46H
InChIKeyPZVBSJKCFYHFRC-UHFFFAOYSA-N
MW943.24 g/mol
LogP15.49
Rot. Bonds8

About [6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane

[6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane (PubChem CID 149001944) has the molecular formula C70H46N2Si and a molecular weight of 943.24 g/mol. Its IUPAC name is [6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane
PubChem CID149001944
Molecular FormulaC70H46N2Si
Molecular Weight943.24 g/mol
Exact Mass942.34
IUPAC Name[6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(c2)c3c45)cc1
InChIInChI=1S/C70H46N2Si/c1-4-18-53(19-5-1)73(54-20-6-2-7-21-54,55-22-8-3-9-23-55)56-44-49-36-42-61-63(47-32-38-51(39-33-47)71-65-28-14-10-24-57(65)58-25-11-15-29-66(58)71)46-64(62-43-37-50(45-56)69(49)70(61)62)48-34-40-52(41-35-48)72-67-30-16-12-26-59(67)60-27-13-17-31-68(60)72/h1-46H
InChIKeyPZVBSJKCFYHFRC-UHFFFAOYSA-N
XLogP15.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.24
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
9-[4-[3-(4-carbazol-9-ylphenyl)-7-dodecylpyren-1-yl]phenyl]carbazole
CID 139380326
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078
bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane
CID 59770814
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
(4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane
CID 174090365
triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
CID 170516082
triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane
CID 170515899
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740

Frequently Asked Questions

What is the IUPAC name of [6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane?
The IUPAC name of [6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane (CID 149001944) is [6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane.
What is the SMILES notation for [6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane?
The canonical SMILES for [6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(c2)c3c45)cc1.
What is the InChIKey of [6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane?
The InChIKey is PZVBSJKCFYHFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2Si/c1-4-18-53(19-5-1)73(54-20-6-2-7-21-54,55-22-8-3-9-23-55)56-44-49-36-42-61-63(47-32-38-51(39-33-47)71-65-28-14-10-24-57(65)58-25-11-15-29-66(58)71)46-64(62-43-37-50(45-56)69(49)70(61)62)48-34-40-52(41-35-48)72-67-30-16-12-26-59(67)60-27-13-17-31-68(60)72/h1-46H.
What are the key properties of [6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane?
[6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane has a molecular weight of 943.24 g/mol, XLogP of 15.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,8-bis(4-carbazol-9-ylphenyl)pyren-2-yl]-triphenylsilane is sourced from PubChem (CID 149001944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).