N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine

C58H38N2S — CID 167322523

IUPACN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3c(c2)sc2ccccc23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C58H38N2S/c1-2-14-43-37-44(30-27-39(43)13-1)48-16-4-8-20-53(48)59(46-35-36-52-51-19-7-12-24-57(51)61-58(52)38-46)45-33-31-41(32-34-45)40-25-28-42(29-26-40)47-15-3-9-21-54(47)60-55-22-10-5-17-49(55)50-18-6-11-23-56(50)60/h1-38H
InChIKeyQLUIKIPHDMXOPR-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine (PubChem CID 167322523) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
PubChem CID167322523
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3c(c2)sc2ccccc23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C58H38N2S/c1-2-14-43-37-44(30-27-39(43)13-1)48-16-4-8-20-53(48)59(46-35-36-52-51-19-7-12-24-57(51)61-58(52)38-46)45-33-31-41(32-34-45)40-25-28-42(29-26-40)47-15-3-9-21-54(47)60-55-22-10-5-17-49(55)50-18-6-11-23-56(50)60/h1-38H
InChIKeyQLUIKIPHDMXOPR-UHFFFAOYSA-N
XLogP16.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.02
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine
CID 167322826
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 167322385
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 166565844
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322263
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-3-amine
CID 167322587
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326177
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086517
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline
CID 147107274

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine (CID 167322523) is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine is c1ccc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3c(c2)sc2ccccc23)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is QLUIKIPHDMXOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-2-14-43-37-44(30-27-39(43)13-1)48-16-4-8-20-53(48)59(46-35-36-52-51-19-7-12-24-57(51)61-58(52)38-46)45-33-31-41(32-34-45)40-25-28-42(29-26-40)47-15-3-9-21-54(47)60-55-22-10-5-17-49(55)50-18-6-11-23-56(50)60/h1-38H.
What are the key properties of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine?
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 795.02 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 167322523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).