1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine

C60H41N3S — CID 154697226

IUPAC1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(c4)sc4cc(N(c6ccccc6)c6ccccc6)ccc45)c4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H41N3S/c1-5-15-41(16-6-1)43-25-30-48(31-26-43)63(49-32-27-44(28-33-49)42-17-7-2-8-18-42)51-38-55(60-56(39-51)52-23-13-14-24-57(52)61-60)45-29-35-53-54-36-34-50(40-59(54)64-58(53)37-45)62(46-19-9-3-10-20-46)47-21-11-4-12-22-47/h1-40,61H
InChIKeyZGZZXQBOTBAUQB-UHFFFAOYSA-N
MW836.08 g/mol
LogP17.63
Rot. Bonds9

About 1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine

1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine (PubChem CID 154697226) has the molecular formula C60H41N3S and a molecular weight of 836.08 g/mol. Its IUPAC name is 1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine
PubChem CID154697226
Molecular FormulaC60H41N3S
Molecular Weight836.08 g/mol
Exact Mass835.30
IUPAC Name1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(c4)sc4cc(N(c6ccccc6)c6ccccc6)ccc45)c4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H41N3S/c1-5-15-41(16-6-1)43-25-30-48(31-26-43)63(49-32-27-44(28-33-49)42-17-7-2-8-18-42)51-38-55(60-56(39-51)52-23-13-14-24-57(52)61-60)45-29-35-53-54-36-34-50(40-59(54)64-58(53)37-45)62(46-19-9-3-10-20-46)47-21-11-4-12-22-47/h1-40,61H
InChIKeyZGZZXQBOTBAUQB-UHFFFAOYSA-N
XLogP17.63
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.08
LogP ≤ 517.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697274
1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine
CID 154697120
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 118186820
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
7-(9H-carbazol-1-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 154697177
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 139297951
1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697176

Frequently Asked Questions

What is the IUPAC name of 1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine?
The IUPAC name of 1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine (CID 154697226) is 1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine.
What is the SMILES notation for 1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine?
The canonical SMILES for 1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(c4)sc4cc(N(c6ccccc6)c6ccccc6)ccc45)c4[nH]c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine?
The InChIKey is ZGZZXQBOTBAUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3S/c1-5-15-41(16-6-1)43-25-30-48(31-26-43)63(49-32-27-44(28-33-49)42-17-7-2-8-18-42)51-38-55(60-56(39-51)52-23-13-14-24-57(52)61-60)45-29-35-53-54-36-34-50(40-59(54)64-58(53)37-45)62(46-19-9-3-10-20-46)47-21-11-4-12-22-47/h1-40,61H.
What are the key properties of 1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine?
1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine has a molecular weight of 836.08 g/mol, XLogP of 17.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 154697226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).