N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine

C64H42N2S2 — CID 167086636

IUPACN-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5cccc6ccccc56)c5cccc6c5sc5ccccc56)c4)c3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C64H42N2S2/c1-3-17-43(18-4-1)44-37-39-49(40-38-44)65(59-34-16-32-57-56-30-14-29-53(62(56)68-64(57)59)46-19-5-2-6-20-46)50-25-11-23-47(41-50)48-24-12-26-51(42-48)66(58-33-13-22-45-21-7-8-27-52(45)58)60-35-15-31-55-54-28-9-10-36-61(54)67-63(55)60/h1-42H
InChIKeyJYYQWYGSLJLEJO-UHFFFAOYSA-N
MW903.19 g/mol
LogP19.52
Rot. Bonds9

About N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine

N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 167086636) has the molecular formula C64H42N2S2 and a molecular weight of 903.19 g/mol. Its IUPAC name is N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID167086636
Molecular FormulaC64H42N2S2
Molecular Weight903.19 g/mol
Exact Mass902.28
IUPAC NameN-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5cccc6ccccc56)c5cccc6c5sc5ccccc56)c4)c3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C64H42N2S2/c1-3-17-43(18-4-1)44-37-39-49(40-38-44)65(59-34-16-32-57-56-30-14-29-53(62(56)68-64(57)59)46-19-5-2-6-20-46)50-25-11-23-47(41-50)48-24-12-26-51(42-48)66(58-33-13-22-45-21-7-8-27-52(45)58)60-35-15-31-55-54-28-9-10-36-61(54)67-63(55)60/h1-42H
InChIKeyJYYQWYGSLJLEJO-UHFFFAOYSA-N
XLogP19.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.19
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-[4-(8-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 176590511
4-N-(3-dibenzothiophen-4-ylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 121323913
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161489746
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396570
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(4-phenylphenyl)aniline
CID 158744842
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 167086636) is N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5cccc6ccccc56)c5cccc6c5sc5ccccc56)c4)c3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is JYYQWYGSLJLEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2S2/c1-3-17-43(18-4-1)44-37-39-49(40-38-44)65(59-34-16-32-57-56-30-14-29-53(62(56)68-64(57)59)46-19-5-2-6-20-46)50-25-11-23-47(41-50)48-24-12-26-51(42-48)66(58-33-13-22-45-21-7-8-27-52(45)58)60-35-15-31-55-54-28-9-10-36-61(54)67-63(55)60/h1-42H.
What are the key properties of N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 903.19 g/mol, XLogP of 19.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 167086636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).