7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine

C54H37NS — CID 167397690

IUPAC7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc5c4sc4cc(-c6ccccc6)ccc45)cc3)c2)cc1
InChIInChI=1S/C54H37NS/c1-4-13-38(14-5-1)43-19-10-21-45(35-43)41-25-30-48(31-26-41)55(49-32-27-42(28-33-49)46-22-11-20-44(36-46)39-15-6-2-7-16-39)52-24-12-23-51-50-34-29-47(37-53(50)56-54(51)52)40-17-8-3-9-18-40/h1-37H
InChIKeyMFIGGFYKQIEDOQ-UHFFFAOYSA-N
MW731.96 g/mol
LogP15.86
Rot. Bonds8

About 7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine

7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 167397690) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is 7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound Name7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID167397690
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC Name7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc5c4sc4cc(-c6ccccc6)ccc45)cc3)c2)cc1
InChIInChI=1S/C54H37NS/c1-4-13-38(14-5-1)43-19-10-21-45(35-43)41-25-30-48(31-26-41)55(49-32-27-42(28-33-49)46-22-11-20-44(36-46)39-15-6-2-7-16-39)52-24-12-23-51-50-34-29-47(37-53(50)56-54(51)52)40-17-8-3-9-18-40/h1-37H
InChIKeyMFIGGFYKQIEDOQ-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.96
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine
CID 167396397
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167396935
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
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
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
N-dibenzothiophen-3-yl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 166566346
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 160550206
N-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 121327886
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(4-phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
CID 167396822

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of 7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 167397690) is 7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for 7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for 7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc5c4sc4cc(-c6ccccc6)ccc45)cc3)c2)cc1.
What is the InChIKey of 7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is MFIGGFYKQIEDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NS/c1-4-13-38(14-5-1)43-19-10-21-45(35-43)41-25-30-48(31-26-41)55(49-32-27-42(28-33-49)46-22-11-20-44(36-46)39-15-6-2-7-16-39)52-24-12-23-51-50-34-29-47(37-53(50)56-54(51)52)40-17-8-3-9-18-40/h1-37H.
What are the key properties of 7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 731.96 g/mol, XLogP of 15.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 167397690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).