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

C54H37NS — CID 155122803

IUPACN-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H37NS/c1-5-15-38(16-6-1)39-25-29-45(30-26-39)55(46-31-34-54-51(37-46)48-23-13-14-24-53(48)56-54)52-33-28-44(36-50(52)42-21-11-4-12-22-42)43-27-32-47(40-17-7-2-8-18-40)49(35-43)41-19-9-3-10-20-41/h1-37H
InChIKeyJZSQPRFGXNKXKE-UHFFFAOYSA-N
MW731.96 g/mol
LogP15.86
Rot. Bonds8

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

N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 155122803) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID155122803
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC NameN-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H37NS/c1-5-15-38(16-6-1)39-25-29-45(30-26-39)55(46-31-34-54-51(37-46)48-23-13-14-24-53(48)56-54)52-33-28-44(36-50(52)42-21-11-4-12-22-42)43-27-32-47(40-17-7-2-8-18-40)49(35-43)41-19-9-3-10-20-41/h1-37H
InChIKeyJZSQPRFGXNKXKE-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-[6-[4-(N-dibenzothiophen-2-yl-2,4-diphenylanilino)phenyl]pyren-1-yl]phenyl]-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 118012272
N-dibenzothiophen-2-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 155122836
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 172502933
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 71126719
N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 122675267
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 122675269
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine
CID 118214636
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 164831950

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 155122803) is N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is JZSQPRFGXNKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NS/c1-5-15-38(16-6-1)39-25-29-45(30-26-39)55(46-31-34-54-51(37-46)48-23-13-14-24-53(48)56-54)52-33-28-44(36-50(52)42-21-11-4-12-22-42)43-27-32-47(40-17-7-2-8-18-40)49(35-43)41-19-9-3-10-20-41/h1-37H.
What are the key properties of N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)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-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 155122803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).