N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline

C66H44N2S — CID 172502324

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C66H44N2S/c1-2-18-46(19-3-1)52-22-4-5-23-54(52)55-24-6-7-25-56(55)57-26-8-12-31-61(57)67(50-42-38-47(39-43-50)53-30-17-35-65-66(53)60-29-11-15-34-64(60)69-65)49-40-36-45(37-41-49)48-20-16-21-51(44-48)68-62-32-13-9-27-58(62)59-28-10-14-33-63(59)68/h1-44H
InChIKeyQCKFZUQXAVXUNZ-UHFFFAOYSA-N
MW897.16 g/mol
LogP18.96
Rot. Bonds9

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172502324) has the molecular formula C66H44N2S and a molecular weight of 897.16 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID172502324
Molecular FormulaC66H44N2S
Molecular Weight897.16 g/mol
Exact Mass896.32
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C66H44N2S/c1-2-18-46(19-3-1)52-22-4-5-23-54(52)55-24-6-7-25-56(55)57-26-8-12-31-61(57)67(50-42-38-47(39-43-50)53-30-17-35-65-66(53)60-29-11-15-34-64(60)69-65)49-40-36-45(37-41-49)48-20-16-21-51(44-48)68-62-32-13-9-27-58(62)59-28-10-14-33-63(59)68/h1-44H
InChIKeyQCKFZUQXAVXUNZ-UHFFFAOYSA-N
XLogP18.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.16
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
N-(4-dibenzothiophen-1-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788998
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325535
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
CID 166565729
7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 90371923
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501114
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
CID 118086518
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789351
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172502324) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is QCKFZUQXAVXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2S/c1-2-18-46(19-3-1)52-22-4-5-23-54(52)55-24-6-7-25-56(55)57-26-8-12-31-61(57)67(50-42-38-47(39-43-50)53-30-17-35-65-66(53)60-29-11-15-34-64(60)69-65)49-40-36-45(37-41-49)48-20-16-21-51(44-48)68-62-32-13-9-27-58(62)59-28-10-14-33-63(59)68/h1-44H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline has a molecular weight of 897.16 g/mol, XLogP of 18.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172502324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).