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

C54H35NS — CID 139297951

IUPACN-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H35NS/c1-2-12-36(13-3-1)37-22-24-38(25-23-37)39-26-28-40(29-27-39)55(42-31-33-51-50-20-10-11-21-53(50)56-54(51)35-42)41-30-32-49-47-18-7-6-16-45(47)43-14-4-5-15-44(43)46-17-8-9-19-48(46)52(49)34-41/h1-35H/b45-43-,46-44-,49-47-,52-48-
InChIKeyDIIXNLXPCUUUQE-IVAWKTHZSA-N
MW729.95 g/mol
LogP15.84
Rot. Bonds5

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

N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine (PubChem CID 139297951) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
PubChem CID139297951
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC NameN-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H35NS/c1-2-12-36(13-3-1)37-22-24-38(25-23-37)39-26-28-40(29-27-39)55(42-31-33-51-50-20-10-11-21-53(50)56-54(51)35-42)41-30-32-49-47-18-7-6-16-45(47)43-14-4-5-15-44(43)46-17-8-9-19-48(46)52(49)34-41/h1-35H/b45-43-,46-44-,49-47-,52-48-
InChIKeyDIIXNLXPCUUUQE-IVAWKTHZSA-N
XLogP15.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 138493702
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]tetraphenylen-2-amine
CID 139297752
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 142715334
N-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159692895
7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 159997970
5-bromo-1-N,3-N-di(dibenzothiophen-3-yl)-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122551935
N-(4-phenylphenyl)-N-(35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-22-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130465378
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine?
The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine (CID 139297951) is N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine?
The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine?
The InChIKey is DIIXNLXPCUUUQE-IVAWKTHZSA-N. The full InChI is InChI=1S/C54H35NS/c1-2-12-36(13-3-1)37-22-24-38(25-23-37)39-26-28-40(29-27-39)55(42-31-33-51-50-20-10-11-21-53(50)56-54(51)35-42)41-30-32-49-47-18-7-6-16-45(47)43-14-4-5-15-44(43)46-17-8-9-19-48(46)52(49)34-41/h1-35H/b45-43-,46-44-,49-47-,52-48-.
What are the key properties of N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine?
N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine has a molecular weight of 729.95 g/mol, XLogP of 15.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine is sourced from PubChem (CID 139297951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).