N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

C54H35NS2 — CID 168790748

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C54H35NS2/c1-3-16-36(17-4-1)40-20-7-8-23-45(40)52-41(37-18-5-2-6-19-37)24-14-28-48(52)55(49-29-15-27-47-44-22-10-12-31-51(44)57-54(47)49)39-34-32-38(33-35-39)42-25-13-26-46-43-21-9-11-30-50(43)56-53(42)46/h1-35H
InChIKeyBKUYBOYQMLCNON-UHFFFAOYSA-N
MW762.02 g/mol
LogP16.56
Rot. Bonds7

About N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 168790748) has the molecular formula C54H35NS2 and a molecular weight of 762.02 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID168790748
Molecular FormulaC54H35NS2
Molecular Weight762.02 g/mol
Exact Mass761.22
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C54H35NS2/c1-3-16-36(17-4-1)40-20-7-8-23-45(40)52-41(37-18-5-2-6-19-37)24-14-28-48(52)55(49-29-15-27-47-44-22-10-12-31-51(44)57-54(47)49)39-34-32-38(33-35-39)42-25-13-26-46-43-21-9-11-30-50(43)56-53(42)46/h1-35H
InChIKeyBKUYBOYQMLCNON-UHFFFAOYSA-N
XLogP16.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.02
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789429
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789332
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789139
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
N-dibenzothiophen-4-yl-6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 153434003
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789441

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 168790748) is N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is BKUYBOYQMLCNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS2/c1-3-16-36(17-4-1)40-20-7-8-23-45(40)52-41(37-18-5-2-6-19-37)24-14-28-48(52)55(49-29-15-27-47-44-22-10-12-31-51(44)57-54(47)49)39-34-32-38(33-35-39)42-25-13-26-46-43-21-9-11-30-50(43)56-53(42)46/h1-35H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 762.02 g/mol, XLogP of 16.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 168790748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).