N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline

C64H46N2Si — CID 123874223

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

About N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline

N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline (PubChem CID 123874223) 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]-4-phenyl-N-(4-triphenylsilylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline
PubChem CID123874223
Molecular FormulaC64H46N2Si
Molecular Weight871.17 g/mol
Exact Mass870.34
IUPAC NameN-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C64H46N2Si/c1-5-17-47(18-6-1)48-29-36-52(37-30-48)65(54-42-44-59(45-43-54)67(56-20-7-2-8-21-56,57-22-9-3-10-23-57)58-24-11-4-12-25-58)53-38-31-49(32-39-53)50-33-40-55(41-34-50)66-63-28-16-15-27-61(63)62-46-35-51-19-13-14-26-60(51)64(62)66/h1-46H
InChIKeyBVSWYFIHIFHGIQ-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]-N-(4-phenylphenyl)-3-triphenylsilylaniline
CID 171457228
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330
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-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline
CID 90195275
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 160503195
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
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-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 170363167
N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 121311168
4-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-N-(4-triphenylsilylphenyl)aniline
CID 123610443

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline?
The IUPAC name of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline (CID 123874223) is N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline.
What is the SMILES notation for N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline?
The canonical SMILES for N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline?
The InChIKey is BVSWYFIHIFHGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2Si/c1-5-17-47(18-6-1)48-29-36-52(37-30-48)65(54-42-44-59(45-43-54)67(56-20-7-2-8-21-56,57-22-9-3-10-23-57)58-24-11-4-12-25-58)53-38-31-49(32-39-53)50-33-40-55(41-34-50)66-63-28-16-15-27-61(63)62-46-35-51-19-13-14-26-60(51)64(62)66/h1-46H.
What are the key properties of N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline?
N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-triphenylsilylphenyl)aniline 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]-4-phenyl-N-(4-triphenylsilylphenyl)aniline is sourced from PubChem (CID 123874223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).