4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

C54H37NS — CID 164744420

IUPAC4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H37NS/c1-4-16-38(17-5-1)45-22-10-12-24-47(45)41-28-32-43(33-29-41)55(44-34-30-42(31-35-44)48-25-13-11-23-46(48)39-18-6-2-7-19-39)51-37-36-49(40-20-8-3-9-21-40)54-53(51)50-26-14-15-27-52(50)56-54/h1-37H
InChIKeyISJKUEFQMCQLDB-UHFFFAOYSA-N
MW731.96 g/mol
LogP15.86
Rot. Bonds8

About 4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 164744420) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is 4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID164744420
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC Name4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H37NS/c1-4-16-38(17-5-1)45-22-10-12-24-47(45)41-28-32-43(33-29-41)55(44-34-30-42(31-35-44)48-25-13-11-23-46(48)39-18-6-2-7-19-39)51-37-36-49(40-20-8-3-9-21-40)54-53(51)50-26-14-15-27-52(50)56-54/h1-37H
InChIKeyISJKUEFQMCQLDB-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-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848106
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 168847842
4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168848036
N,N-di(phenanthren-3-yl)-4-phenyldibenzothiophen-1-amine
CID 176821444
N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176824673
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847741
4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168847673
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
CID 88988857
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of 4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (CID 164744420) is 4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for 4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for 4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is ISJKUEFQMCQLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NS/c1-4-16-38(17-5-1)45-22-10-12-24-47(45)41-28-32-43(33-29-41)55(44-34-30-42(31-35-44)48-25-13-11-23-46(48)39-18-6-2-7-19-39)51-37-36-49(40-20-8-3-9-21-40)54-53(51)50-26-14-15-27-52(50)56-54/h1-37H.
What are the key properties of 4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-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 4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 164744420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).