N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline

C63H49N3Si — CID 90195271

IUPACN,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline
SMILESC[Si](C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C63H49N3Si/c1-67(2,3)55-38-28-45(29-39-55)44-22-32-52(33-23-44)64(53-34-24-46(25-35-53)48-30-40-62-58(42-48)56-18-10-12-20-60(56)65(62)50-14-6-4-7-15-50)54-36-26-47(27-37-54)49-31-41-63-59(43-49)57-19-11-13-21-61(57)66(63)51-16-8-5-9-17-51/h4-43H,1-3H3
InChIKeyZKWJATYTXPGNBT-UHFFFAOYSA-N
MW876.19 g/mol
LogP16.90
Rot. Bonds9

About N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline

N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline (PubChem CID 90195271) has the molecular formula C63H49N3Si and a molecular weight of 876.19 g/mol. Its IUPAC name is N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline
PubChem CID90195271
Molecular FormulaC63H49N3Si
Molecular Weight876.19 g/mol
Exact Mass875.37
IUPAC NameN,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline
SMILESC[Si](C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C63H49N3Si/c1-67(2,3)55-38-28-45(29-39-55)44-22-32-52(33-23-44)64(53-34-24-46(25-35-53)48-30-40-62-58(42-48)56-18-10-12-20-60(56)65(62)50-14-6-4-7-15-50)54-36-26-47(27-37-54)49-31-41-63-59(43-49)57-19-11-13-21-61(57)66(63)51-16-8-5-9-17-51/h4-43H,1-3H3
InChIKeyZKWJATYTXPGNBT-UHFFFAOYSA-N
XLogP16.90
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.19
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 90195243
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline
CID 90195301
N-[4-([1]benzothiolo[3,2-b][1]benzothiol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline
CID 90195306
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
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-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 158069422

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline?
The IUPAC name of N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline (CID 90195271) is N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline.
What is the SMILES notation for N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline?
The canonical SMILES for N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline is C[Si](C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline?
The InChIKey is ZKWJATYTXPGNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N3Si/c1-67(2,3)55-38-28-45(29-39-55)44-22-32-52(33-23-44)64(53-34-24-46(25-35-53)48-30-40-62-58(42-48)56-18-10-12-20-60(56)65(62)50-14-6-4-7-15-50)54-36-26-47(27-37-54)49-31-41-63-59(43-49)57-19-11-13-21-61(57)66(63)51-16-8-5-9-17-51/h4-43H,1-3H3.
What are the key properties of N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline?
N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline has a molecular weight of 876.19 g/mol, XLogP of 16.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)aniline is sourced from PubChem (CID 90195271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).