N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine

C72H48N4O2S — CID 163516454

IUPACN-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine
SMILESSN(c1ccc2oc3c(-c4cccc5c4oc4ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc45)cccc3c2c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C72H48N4O2S/c79-76(68-41-37-53(44-62(68)48-20-6-1-7-21-48)73(49-22-8-2-9-23-49)50-24-10-3-11-25-50)56-39-43-70-65(47-56)61-34-19-32-59(72(61)78-70)58-31-18-33-60-64-46-55(38-42-69(64)77-71(58)60)75-66-35-17-16-30-57(66)63-45-54(36-40-67(63)75)74(51-26-12-4-13-27-51)52-28-14-5-15-29-52/h1-47,79H
InChIKeyDHEMUKXWMGTNLX-UHFFFAOYSA-N
MW1033.27 g/mol
LogP20.84
Rot. Bonds11

About N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine

N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine (PubChem CID 163516454) has the molecular formula C72H48N4O2S and a molecular weight of 1033.27 g/mol. Its IUPAC name is N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine
PubChem CID163516454
Molecular FormulaC72H48N4O2S
Molecular Weight1033.27 g/mol
Exact Mass1032.35
IUPAC NameN-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine
SMILESSN(c1ccc2oc3c(-c4cccc5c4oc4ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc45)cccc3c2c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C72H48N4O2S/c79-76(68-41-37-53(44-62(68)48-20-6-1-7-21-48)73(49-22-8-2-9-23-49)50-24-10-3-11-25-50)56-39-43-70-65(47-56)61-34-19-32-59(72(61)78-70)58-31-18-33-60-64-46-55(38-42-69(64)77-71(58)60)75-66-35-17-16-30-57(66)63-45-54(36-40-67(63)75)74(51-26-12-4-13-27-51)52-28-14-5-15-29-52/h1-47,79H
InChIKeyDHEMUKXWMGTNLX-UHFFFAOYSA-N
XLogP20.84
TPSA40.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.27
LogP ≤ 520.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 153004829
N-(4-carbazol-9-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804257
N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
CID 118438894
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789400

Frequently Asked Questions

What is the IUPAC name of N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine?
The IUPAC name of N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine (CID 163516454) is N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine.
What is the SMILES notation for N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine?
The canonical SMILES for N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine is SN(c1ccc2oc3c(-c4cccc5c4oc4ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc45)cccc3c2c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine?
The InChIKey is DHEMUKXWMGTNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4O2S/c79-76(68-41-37-53(44-62(68)48-20-6-1-7-21-48)73(49-22-8-2-9-23-49)50-24-10-3-11-25-50)56-39-43-70-65(47-56)61-34-19-32-59(72(61)78-70)58-31-18-33-60-64-46-55(38-42-69(64)77-71(58)60)75-66-35-17-16-30-57(66)63-45-54(36-40-67(63)75)74(51-26-12-4-13-27-51)52-28-14-5-15-29-52/h1-47,79H.
What are the key properties of N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine?
N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine has a molecular weight of 1033.27 g/mol, XLogP of 20.84, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[8-[3-(N-phenylanilino)carbazol-9-yl]dibenzofuran-4-yl]dibenzofuran-2-yl]-N-[2-phenyl-4-(N-phenylanilino)phenyl]thiohydroxylamine is sourced from PubChem (CID 163516454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).