3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C58H38N2S — CID 164968900

IUPAC3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H38N2S/c1-3-15-39(16-4-1)40-29-33-44(34-30-40)59(45-35-31-42(32-36-45)47-24-13-18-41-17-7-8-21-46(41)47)55-38-56-52(48-22-9-11-27-54(48)60(56)43-19-5-2-6-20-43)37-53(55)51-26-14-25-50-49-23-10-12-28-57(49)61-58(50)51/h1-38H
InChIKeyKFEYHXWRXBDTSJ-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About 3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 164968900) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID164968900
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC Name3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H38N2S/c1-3-15-39(16-4-1)40-29-33-44(34-30-40)59(45-35-31-42(32-36-45)47-24-13-18-41-17-7-8-21-46(41)47)55-38-56-52(48-22-9-11-27-54(48)60(56)43-19-5-2-6-20-43)37-53(55)51-26-14-25-50-49-23-10-12-28-57(49)61-58(50)51/h1-38H
InChIKeyKFEYHXWRXBDTSJ-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

3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 164997385
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 146579330
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234223
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 146578511
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165036325
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 160918264
N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
CID 165155434
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 164968900) is 3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is KFEYHXWRXBDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-3-15-39(16-4-1)40-29-33-44(34-30-40)59(45-35-31-42(32-36-45)47-24-13-18-41-17-7-8-21-46(41)47)55-38-56-52(48-22-9-11-27-54(48)60(56)43-19-5-2-6-20-43)37-53(55)51-26-14-25-50-49-23-10-12-28-57(49)61-58(50)51/h1-38H.
What are the key properties of 3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-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 3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 164968900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).