N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine

C58H40N2S — CID 177098532

IUPACN-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C58H40N2S/c1-4-14-45(15-5-1)55-38-46-16-10-11-17-47(46)39-56(55)60(52-36-37-54-53-22-12-13-23-57(53)61-58(54)40-52)51-34-30-44(31-35-51)42-26-24-41(25-27-42)43-28-32-50(33-29-43)59(48-18-6-2-7-19-48)49-20-8-3-9-21-49/h1-40H
InChIKeyQYVVPKHSCQKUOJ-UHFFFAOYSA-N
MW797.04 g/mol
LogP17.15
Rot. Bonds9

About N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine

N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine (PubChem CID 177098532) has the molecular formula C58H40N2S and a molecular weight of 797.04 g/mol. Its IUPAC name is N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
PubChem CID177098532
Molecular FormulaC58H40N2S
Molecular Weight797.04 g/mol
Exact Mass796.29
IUPAC NameN-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C58H40N2S/c1-4-14-45(15-5-1)55-38-46-16-10-11-17-47(46)39-56(55)60(52-36-37-54-53-22-12-13-23-57(53)61-58(54)40-52)51-34-30-44(31-35-51)42-26-24-41(25-27-42)43-28-32-50(33-29-43)59(48-18-6-2-7-19-48)49-20-8-3-9-21-49/h1-40H
InChIKeyQYVVPKHSCQKUOJ-UHFFFAOYSA-N
XLogP17.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.04
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine
CID 158058609
N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177128358
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-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine
CID 158092286
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235005
7-N-dibenzothiophen-3-yl-7-N-[3-(N-naphthalen-2-ylanilino)phenyl]-2-N-phenyl-2-N-(2-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979897
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine (CID 177098532) is N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine is c1ccc(-c2cc3ccccc3cc2N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The InChIKey is QYVVPKHSCQKUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2S/c1-4-14-45(15-5-1)55-38-46-16-10-11-17-47(46)39-56(55)60(52-36-37-54-53-22-12-13-23-57(53)61-58(54)40-52)51-34-30-44(31-35-51)42-26-24-41(25-27-42)43-28-32-50(33-29-43)59(48-18-6-2-7-19-48)49-20-8-3-9-21-49/h1-40H.
What are the key properties of N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine has a molecular weight of 797.04 g/mol, XLogP of 17.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 177098532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).