tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane

C96H64N4Si — CID 102286078

IUPACtetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc([Si](c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C96H64N4Si/c1-9-25-89-81(17-1)82-18-2-10-26-90(82)97(89)73-49-33-65(34-50-73)69-41-57-77(58-42-69)101(78-59-43-70(44-60-78)66-35-51-74(52-36-66)98-91-27-11-3-19-83(91)84-20-4-12-28-92(84)98,79-61-45-71(46-62-79)67-37-53-75(54-38-67)99-93-29-13-5-21-85(93)86-22-6-14-30-94(86)99)80-63-47-72(48-64-80)68-39-55-76(56-40-68)100-95-31-15-7-23-87(95)88-24-8-16-32-96(88)100/h1-64H
InChIKeyHCNIURPNRQAULM-UHFFFAOYSA-N
MW1301.68 g/mol
LogP22.12
Rot. Bonds12

About tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane

tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane (PubChem CID 102286078) has the molecular formula C96H64N4Si and a molecular weight of 1301.68 g/mol. Its IUPAC name is tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane.

Molecular Properties

Compound Nametetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
PubChem CID102286078
Molecular FormulaC96H64N4Si
Molecular Weight1301.68 g/mol
Exact Mass1300.49
IUPAC Nametetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc([Si](c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C96H64N4Si/c1-9-25-89-81(17-1)82-18-2-10-26-90(82)97(89)73-49-33-65(34-50-73)69-41-57-77(58-42-69)101(78-59-43-70(44-60-78)66-35-51-74(52-36-66)98-91-27-11-3-19-83(91)84-20-4-12-28-92(84)98,79-61-45-71(46-62-79)67-37-53-75(54-38-67)99-93-29-13-5-21-85(93)86-22-6-14-30-94(86)99)80-63-47-72(48-64-80)68-39-55-76(56-40-68)100-95-31-15-7-23-87(95)88-24-8-16-32-96(88)100/h1-64H
InChIKeyHCNIURPNRQAULM-UHFFFAOYSA-N
XLogP22.12
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.68
LogP ≤ 522.12
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

bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140842607
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane
CID 59770814

Frequently Asked Questions

What is the IUPAC name of tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane?
The IUPAC name of tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane (CID 102286078) is tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane.
What is the SMILES notation for tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane?
The canonical SMILES for tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc([Si](c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane?
The InChIKey is HCNIURPNRQAULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H64N4Si/c1-9-25-89-81(17-1)82-18-2-10-26-90(82)97(89)73-49-33-65(34-50-73)69-41-57-77(58-42-69)101(78-59-43-70(44-60-78)66-35-51-74(52-36-66)98-91-27-11-3-19-83(91)84-20-4-12-28-92(84)98,79-61-45-71(46-62-79)67-37-53-75(54-38-67)99-93-29-13-5-21-85(93)86-22-6-14-30-94(86)99)80-63-47-72(48-64-80)68-39-55-76(56-40-68)100-95-31-15-7-23-87(95)88-24-8-16-32-96(88)100/h1-64H.
What are the key properties of tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane?
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane has a molecular weight of 1301.68 g/mol, XLogP of 22.12, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane is sourced from PubChem (CID 102286078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).