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

C54H37NS — CID 172502933

IUPACN-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C54H37NS/c1-3-16-38(17-4-1)41-20-15-21-42(36-41)39-30-32-43(33-31-39)55(44-34-35-54-51(37-44)50-27-12-14-29-53(50)56-54)52-28-13-11-26-49(52)48-25-10-9-24-47(48)46-23-8-7-22-45(46)40-18-5-2-6-19-40/h1-37H
InChIKeyHQEZDTQSZKYZII-UHFFFAOYSA-N
MW731.96 g/mol
LogP15.86
Rot. Bonds8

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

N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine (PubChem CID 172502933) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
PubChem CID172502933
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC NameN-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C54H37NS/c1-3-16-38(17-4-1)41-20-15-21-42(36-41)39-30-32-43(33-31-39)55(44-34-35-54-51(37-44)50-27-12-14-29-53(50)56-54)52-28-13-11-26-49(52)48-25-10-9-24-47(48)46-23-8-7-22-45(46)40-18-5-2-6-19-40/h1-37H
InChIKeyHQEZDTQSZKYZII-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-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501553
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501643
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 155122803
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790075
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N-dibenzothiophen-2-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 155122836
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 172502601
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine (CID 172502933) is N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine?
The InChIKey is HQEZDTQSZKYZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NS/c1-3-16-38(17-4-1)41-20-15-21-42(36-41)39-30-32-43(33-31-39)55(44-34-35-54-51(37-44)50-27-12-14-29-53(50)56-54)52-28-13-11-26-49(52)48-25-10-9-24-47(48)46-23-8-7-22-45(46)40-18-5-2-6-19-40/h1-37H.
What are the key properties of N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine?
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-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 N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 172502933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).