2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine

C54H39N3S — CID 160948013

IUPAC2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C54H39N3S/c1-7-19-40(20-8-1)41-31-33-47(34-32-41)55(42-21-9-2-10-22-42)48-35-36-50-51-37-49(56(43-23-11-3-12-24-43)44-25-13-4-14-26-44)38-52(54(51)58-53(50)39-48)57(45-27-15-5-16-28-45)46-29-17-6-18-30-46/h1-39H
InChIKeyWAZDYWFMNXOPFL-UHFFFAOYSA-N
MW761.99 g/mol
LogP16.13
Rot. Bonds10

About 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine

2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine (PubChem CID 160948013) has the molecular formula C54H39N3S and a molecular weight of 761.99 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine
PubChem CID160948013
Molecular FormulaC54H39N3S
Molecular Weight761.99 g/mol
Exact Mass761.29
IUPAC Name2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C54H39N3S/c1-7-19-40(20-8-1)41-31-33-47(34-32-41)55(42-21-9-2-10-22-42)48-35-36-50-51-37-49(56(43-23-11-3-12-24-43)44-25-13-4-14-26-44)38-52(54(51)58-53(50)39-48)57(45-27-15-5-16-28-45)46-29-17-6-18-30-46/h1-39H
InChIKeyWAZDYWFMNXOPFL-UHFFFAOYSA-N
XLogP16.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.99
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine with MolForge

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Related Compounds

2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 121327989
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856583
8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856058
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159690784
8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 153311673
4-N,4-N-diphenyl-2-N-[2-(N-phenylanilino)dibenzothiophen-4-yl]-2-N-(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 146550866
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
CID 155135337
4-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-2-amine
CID 169280619

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine (CID 160948013) is 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1.
What is the InChIKey of 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine?
The InChIKey is WAZDYWFMNXOPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3S/c1-7-19-40(20-8-1)41-31-33-47(34-32-41)55(42-21-9-2-10-22-42)48-35-36-50-51-37-49(56(43-23-11-3-12-24-43)44-25-13-4-14-26-44)38-52(54(51)58-53(50)39-48)57(45-27-15-5-16-28-45)46-29-17-6-18-30-46/h1-39H.
What are the key properties of 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine?
2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine has a molecular weight of 761.99 g/mol, XLogP of 16.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine is sourced from PubChem (CID 160948013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).