N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine

C54H37NOSi — CID 140709051

IUPACN-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C54H37NOSi/c1-4-16-41(17-5-1)57(42-18-6-2-7-19-42,43-20-8-3-9-21-43)44-32-28-38(29-33-44)55(40-31-35-51-50-26-14-15-27-53(50)56-54(51)37-40)39-30-34-49-47-24-11-10-22-45(47)46-23-12-13-25-48(46)52(49)36-39/h1-37H
InChIKeyINGFJENPBUOTTE-UHFFFAOYSA-N
MW743.98 g/mol
LogP11.89
Rot. Bonds7

About N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine

N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine (PubChem CID 140709051) has the molecular formula C54H37NOSi and a molecular weight of 743.98 g/mol. Its IUPAC name is N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine
PubChem CID140709051
Molecular FormulaC54H37NOSi
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC NameN-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C54H37NOSi/c1-4-16-41(17-5-1)57(42-18-6-2-7-19-42,43-20-8-3-9-21-43)44-32-28-38(29-33-44)55(40-31-35-51-50-26-14-15-27-53(50)56-54(51)37-40)39-30-34-49-47-24-11-10-22-45(47)46-23-12-13-25-48(46)52(49)36-39/h1-37H
InChIKeyINGFJENPBUOTTE-UHFFFAOYSA-N
XLogP11.89
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 511.89
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

1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine
CID 170941861
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123398837
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N,N-diphenyldibenzofuran-2-amine
CID 58038469
1-N,6-N-di(dibenzofuran-3-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine
CID 155620037
N-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087562

Frequently Asked Questions

What is the IUPAC name of N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine (CID 140709051) is N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine?
The InChIKey is INGFJENPBUOTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NOSi/c1-4-16-41(17-5-1)57(42-18-6-2-7-19-42,43-20-8-3-9-21-43)44-32-28-38(29-33-44)55(40-31-35-51-50-26-14-15-27-53(50)56-54(51)37-40)39-30-34-49-47-24-11-10-22-45(47)46-23-12-13-25-48(46)52(49)36-39/h1-37H.
What are the key properties of N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine?
N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine has a molecular weight of 743.98 g/mol, XLogP of 11.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 140709051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).