N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline

C64H46N2Si — CID 171457228

IUPACN-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C64H46N2Si/c1-5-18-47(19-6-1)48-32-39-52(40-33-48)65(55-21-17-28-59(46-55)67(56-22-7-2-8-23-56,57-24-9-3-10-25-57)58-26-11-4-12-27-58)53-41-34-49(35-42-53)50-36-43-54(44-37-50)66-63-31-16-15-30-61(63)62-45-38-51-20-13-14-29-60(51)64(62)66/h1-46H
InChIKeyVPAUFDMRCYHOTQ-UHFFFAOYSA-N
MW871.17 g/mol
LogP14.12
Rot. Bonds10

About N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline

N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline (PubChem CID 171457228) has the molecular formula C64H46N2Si and a molecular weight of 871.17 g/mol. Its IUPAC name is N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline.

Molecular Properties

Compound NameN-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline
PubChem CID171457228
Molecular FormulaC64H46N2Si
Molecular Weight871.17 g/mol
Exact Mass870.34
IUPAC NameN-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C64H46N2Si/c1-5-18-47(19-6-1)48-32-39-52(40-33-48)65(55-21-17-28-59(46-55)67(56-22-7-2-8-23-56,57-24-9-3-10-25-57)58-26-11-4-12-27-58)53-41-34-49(35-42-53)50-36-43-54(44-37-50)66-63-31-16-15-30-61(63)62-45-38-51-20-13-14-29-60(51)64(62)66/h1-46H
InChIKeyVPAUFDMRCYHOTQ-UHFFFAOYSA-N
XLogP14.12
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.17
LogP ≤ 514.12
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

N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 123874223
N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 170363167
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
N,4-diphenyl-N-[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 154589094
N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N-(4-phenylphenyl)aniline
CID 154589062
7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170363156
3-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;3-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-(2-phenylphenyl)phenyl]phenyl]aniline
CID 162113105
4-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(5,8-diphenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 161328307
N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 121311168
N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine;N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine;N,N,11-triphenylbenzo[a]carbazol-10-amine
CID 164979626
4-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline;4-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-phenyl-N-[4-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 161282085

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline?
The IUPAC name of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline (CID 171457228) is N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline.
What is the SMILES notation for N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline?
The canonical SMILES for N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline?
The InChIKey is VPAUFDMRCYHOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2Si/c1-5-18-47(19-6-1)48-32-39-52(40-33-48)65(55-21-17-28-59(46-55)67(56-22-7-2-8-23-56,57-24-9-3-10-25-57)58-26-11-4-12-27-58)53-41-34-49(35-42-53)50-36-43-54(44-37-50)66-63-31-16-15-30-61(63)62-45-38-51-20-13-14-29-60(51)64(62)66/h1-46H.
What are the key properties of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline?
N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline has a molecular weight of 871.17 g/mol, XLogP of 14.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline is sourced from PubChem (CID 171457228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).