bis(4-carbazol-9-ylphenyl)-diphenylsilane

C144H102N6Si3 — CID 139043550

IUPACbis(4-carbazol-9-ylphenyl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/3C48H34N2Si/c3*1-3-15-37(16-4-1)51(38-17-5-2-6-18-38,39-31-27-35(28-32-39)49-45-23-11-7-19-41(45)42-20-8-12-24-46(42)49)40-33-29-36(30-34-40)50-47-25-13-9-21-43(47)44-22-10-14-26-48(44)50/h3*1-34H
InChIKeyMBBFGUAXYAYSJA-UHFFFAOYSA-N
MW2000.70 g/mol
LogP27.77
Rot. Bonds18

About bis(4-carbazol-9-ylphenyl)-diphenylsilane

bis(4-carbazol-9-ylphenyl)-diphenylsilane (PubChem CID 139043550) has the molecular formula C144H102N6Si3 and a molecular weight of 2000.70 g/mol. Its IUPAC name is bis(4-carbazol-9-ylphenyl)-diphenylsilane.

Molecular Properties

Compound Namebis(4-carbazol-9-ylphenyl)-diphenylsilane
PubChem CID139043550
Molecular FormulaC144H102N6Si3
Molecular Weight2000.70 g/mol
Exact Mass1998.75
IUPAC Namebis(4-carbazol-9-ylphenyl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/3C48H34N2Si/c3*1-3-15-37(16-4-1)51(38-17-5-2-6-18-38,39-31-27-35(28-32-39)49-45-23-11-7-19-41(45)42-20-8-12-24-46(42)49)40-33-29-36(30-34-40)50-47-25-13-9-21-43(47)44-22-10-14-26-48(44)50/h3*1-34H
InChIKeyMBBFGUAXYAYSJA-UHFFFAOYSA-N
XLogP27.77
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002000.70
LogP ≤ 527.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078
diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 88576991
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane
CID 162480572
[11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane
CID 169076275
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933

Frequently Asked Questions

What is the IUPAC name of bis(4-carbazol-9-ylphenyl)-diphenylsilane?
The IUPAC name of bis(4-carbazol-9-ylphenyl)-diphenylsilane (CID 139043550) is bis(4-carbazol-9-ylphenyl)-diphenylsilane.
What is the SMILES notation for bis(4-carbazol-9-ylphenyl)-diphenylsilane?
The canonical SMILES for bis(4-carbazol-9-ylphenyl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of bis(4-carbazol-9-ylphenyl)-diphenylsilane?
The InChIKey is MBBFGUAXYAYSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H34N2Si/c3*1-3-15-37(16-4-1)51(38-17-5-2-6-18-38,39-31-27-35(28-32-39)49-45-23-11-7-19-41(45)42-20-8-12-24-46(42)49)40-33-29-36(30-34-40)50-47-25-13-9-21-43(47)44-22-10-14-26-48(44)50/h3*1-34H.
What are the key properties of bis(4-carbazol-9-ylphenyl)-diphenylsilane?
bis(4-carbazol-9-ylphenyl)-diphenylsilane has a molecular weight of 2000.70 g/mol, XLogP of 27.77, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-carbazol-9-ylphenyl)-diphenylsilane is sourced from PubChem (CID 139043550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).