N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline

C54H36N2S — CID 118086514

IUPACN-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-3-13-37(14-4-1)38-23-28-42(29-24-38)55(41-15-5-2-6-16-41)43-30-25-39(26-31-43)45-17-7-8-18-46(45)40-27-34-52-50(35-40)47-19-9-11-21-51(47)56(52)44-32-33-49-48-20-10-12-22-53(48)57-54(49)36-44/h1-36H
InChIKeyBMZZCDYVWSYAAL-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline

N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline (PubChem CID 118086514) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
PubChem CID118086514
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC NameN-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-3-13-37(14-4-1)38-23-28-42(29-24-38)55(41-15-5-2-6-16-41)43-30-25-39(26-31-43)45-17-7-8-18-46(45)40-27-34-52-50(35-40)47-19-9-11-21-51(47)56(52)44-32-33-49-48-20-10-12-22-53(48)57-54(49)36-44/h1-36H
InChIKeyBMZZCDYVWSYAAL-UHFFFAOYSA-N
XLogP15.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
CID 118086518
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372077
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118505838
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
N-(4-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129
4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 89491937
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379955

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline (CID 118086514) is N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline?
The InChIKey is BMZZCDYVWSYAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-3-13-37(14-4-1)38-23-28-42(29-24-38)55(41-15-5-2-6-16-41)43-30-25-39(26-31-43)45-17-7-8-18-46(45)40-27-34-52-50(35-40)47-19-9-11-21-51(47)56(52)44-32-33-49-48-20-10-12-22-53(48)57-54(49)36-44/h1-36H.
What are the key properties of N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline?
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline has a molecular weight of 744.96 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 118086514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).