N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine

C52H36N2S — CID 153299777

IUPACN-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5sc5ccccc56)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H36N2S/c1-4-15-37(16-5-1)38-27-31-42(32-28-38)53(40-17-6-2-7-18-40)43-33-29-39(30-34-43)44-35-36-49(46-22-11-10-21-45(44)46)54(41-19-8-3-9-20-41)50-25-14-24-48-47-23-12-13-26-51(47)55-52(48)50/h1-36H
InChIKeyWUVUAAJNYOJZLI-UHFFFAOYSA-N
MW720.94 g/mol
LogP15.48
Rot. Bonds8

About N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine

N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine (PubChem CID 153299777) has the molecular formula C52H36N2S and a molecular weight of 720.94 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
PubChem CID153299777
Molecular FormulaC52H36N2S
Molecular Weight720.94 g/mol
Exact Mass720.26
IUPAC NameN-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5sc5ccccc56)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H36N2S/c1-4-15-37(16-5-1)38-27-31-42(32-28-38)53(40-17-6-2-7-18-40)43-33-29-39(30-34-43)44-35-36-49(46-22-11-10-21-45(44)46)54(41-19-8-3-9-20-41)50-25-14-24-48-47-23-12-13-26-51(47)55-52(48)50/h1-36H
InChIKeyWUVUAAJNYOJZLI-UHFFFAOYSA-N
XLogP15.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.94
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605730
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-dibenzothiophen-4-yl-6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 153434003
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158866237
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
CID 88988857
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine
CID 166008457

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine?
The IUPAC name of N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine (CID 153299777) is N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine?
The canonical SMILES for N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5sc5ccccc56)c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine?
The InChIKey is WUVUAAJNYOJZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S/c1-4-15-37(16-5-1)38-27-31-42(32-28-38)53(40-17-6-2-7-18-40)43-33-29-39(30-34-43)44-35-36-49(46-22-11-10-21-45(44)46)54(41-19-8-3-9-20-41)50-25-14-24-48-47-23-12-13-26-51(47)55-52(48)50/h1-36H.
What are the key properties of N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine?
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine has a molecular weight of 720.94 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine is sourced from PubChem (CID 153299777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).