N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine

C58H39N3S — CID 154697274

IUPACN-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4[nH]c5c(-c6ccc7c(c6)sc6cc(N(c8ccccc8)c8ccccc8)ccc67)cccc5c4c3)cc2)cc1
InChIInChI=1S/C58H39N3S/c1-4-13-39(14-5-1)41-23-27-46(28-24-41)61(47-29-25-40-15-10-11-16-42(40)35-47)48-31-34-55-54(37-48)53-22-12-21-50(58(53)59-55)43-26-32-51-52-33-30-49(38-57(52)62-56(51)36-43)60(44-17-6-2-7-18-44)45-19-8-3-9-20-45/h1-38,59H
InChIKeyFYJHKMIOVSUEDV-UHFFFAOYSA-N
MW810.04 g/mol
LogP17.12
Rot. Bonds8

About N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine

N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine (PubChem CID 154697274) has the molecular formula C58H39N3S and a molecular weight of 810.04 g/mol. Its IUPAC name is N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine
PubChem CID154697274
Molecular FormulaC58H39N3S
Molecular Weight810.04 g/mol
Exact Mass809.29
IUPAC NameN-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4[nH]c5c(-c6ccc7c(c6)sc6cc(N(c8ccccc8)c8ccccc8)ccc67)cccc5c4c3)cc2)cc1
InChIInChI=1S/C58H39N3S/c1-4-13-39(14-5-1)41-23-27-46(28-24-41)61(47-29-25-40-15-10-11-16-42(40)35-47)48-31-34-55-54(37-48)53-22-12-21-50(58(53)59-55)43-26-32-51-52-33-30-49(38-57(52)62-56(51)36-43)60(44-17-6-2-7-18-44)45-19-8-3-9-20-45/h1-38,59H
InChIKeyFYJHKMIOVSUEDV-UHFFFAOYSA-N
XLogP17.12
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.04
LogP ≤ 517.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(9H-carbazol-1-yl)-N,N-dinaphthalen-2-yldibenzothiophen-2-amine
CID 154697158
1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697226
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
8-(9H-carbazol-1-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 154697151
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767046
N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174256225
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 166566706
1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole
CID 142570567

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The IUPAC name of N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine (CID 154697274) is N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The canonical SMILES for N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4[nH]c5c(-c6ccc7c(c6)sc6cc(N(c8ccccc8)c8ccccc8)ccc67)cccc5c4c3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The InChIKey is FYJHKMIOVSUEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3S/c1-4-13-39(14-5-1)41-23-27-46(28-24-41)61(47-29-25-40-15-10-11-16-42(40)35-47)48-31-34-55-54(37-48)53-22-12-21-50(58(53)59-55)43-26-32-51-52-33-30-49(38-57(52)62-56(51)36-43)60(44-17-6-2-7-18-44)45-19-8-3-9-20-45/h1-38,59H.
What are the key properties of N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine?
N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine has a molecular weight of 810.04 g/mol, XLogP of 17.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 154697274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).