4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline

C48H36N2Si — CID 158876574

IUPAC4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H36N2Si/c1-6-19-37(20-7-1)49(38-21-8-2-9-22-38)40-33-35-43(36-34-40)51(41-25-12-4-13-26-41,42-27-14-5-15-28-42)47-32-18-31-46-48(47)44-29-16-17-30-45(44)50(46)39-23-10-3-11-24-39/h1-36H
InChIKeyRRZOHCQJNUXWOV-UHFFFAOYSA-N
MW668.92 g/mol
LogP9.63
Rot. Bonds8

About 4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline

4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline (PubChem CID 158876574) has the molecular formula C48H36N2Si and a molecular weight of 668.92 g/mol. Its IUPAC name is 4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline
PubChem CID158876574
Molecular FormulaC48H36N2Si
Molecular Weight668.92 g/mol
Exact Mass668.26
IUPAC Name4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H36N2Si/c1-6-19-37(20-7-1)49(38-21-8-2-9-22-38)40-33-35-43(36-34-40)51(41-25-12-4-13-26-41,42-27-14-5-15-28-42)47-32-18-31-46-48(47)44-29-16-17-30-45(44)50(46)39-23-10-3-11-24-39/h1-36H
InChIKeyRRZOHCQJNUXWOV-UHFFFAOYSA-N
XLogP9.63
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.92
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

triphenyl-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170515887
[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
CID 158933010
[8-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170515814
[9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane
CID 170515290
triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170516087
[9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170516212
(5,12-diphenylindolo[3,2-c]carbazol-11-yl)-triphenylsilane
CID 172534521
diphenyl-(9-phenylcarbazol-4-yl)-(6-phenyl-2-pyridinyl)silane
CID 160942076
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol
CID 175977986
[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
CID 171458247
diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 171458283

Frequently Asked Questions

What is the IUPAC name of 4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline?
The IUPAC name of 4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline (CID 158876574) is 4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline?
The InChIKey is RRZOHCQJNUXWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2Si/c1-6-19-37(20-7-1)49(38-21-8-2-9-22-38)40-33-35-43(36-34-40)51(41-25-12-4-13-26-41,42-27-14-5-15-28-42)47-32-18-31-46-48(47)44-29-16-17-30-45(44)50(46)39-23-10-3-11-24-39/h1-36H.
What are the key properties of 4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline?
4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline has a molecular weight of 668.92 g/mol, XLogP of 9.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline is sourced from PubChem (CID 158876574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).