3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline

C54H36N2S — CID 175298985

IUPAC3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C54H36N2S/c1-4-15-38(16-5-1)44-34-32-43(36-50(44)49-24-14-23-48-47-22-11-13-26-53(47)57-54(48)49)55(40-17-6-2-7-18-40)42-30-27-37(28-31-42)39-29-33-46-45-21-10-12-25-51(45)56(52(46)35-39)41-19-8-3-9-20-41/h1-36H
InChIKeyBCUROQVSZNZMRD-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About 3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline

3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 175298985) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
PubChem CID175298985
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C54H36N2S/c1-4-15-38(16-5-1)44-34-32-43(36-50(44)49-24-14-23-48-47-22-11-13-26-53(47)57-54(48)49)55(40-17-6-2-7-18-40)42-30-27-37(28-31-42)39-29-33-46-45-21-10-12-25-51(45)56(52(46)35-39)41-19-8-3-9-20-41/h1-36H
InChIKeyBCUROQVSZNZMRD-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-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine
CID 129178975
N-dibenzothiophen-3-yl-6-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 168814330
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of 3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 175298985) is 3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for 3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for 3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The InChIKey is BCUROQVSZNZMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-4-15-38(16-5-1)44-34-32-43(36-50(44)49-24-14-23-48-47-22-11-13-26-53(47)57-54(48)49)55(40-17-6-2-7-18-40)42-30-27-37(28-31-42)39-29-33-46-45-21-10-12-25-51(45)56(52(46)35-39)41-19-8-3-9-20-41/h1-36H.
What are the key properties of 3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline 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 3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 175298985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).