N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine

C48H31NS2 — CID 171434825

IUPACN-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C48H31NS2/c1-3-14-32(15-4-1)36-18-7-10-22-41(36)49(35-28-26-34(27-29-35)37-21-13-25-45-46(37)39-19-8-11-23-43(39)50-45)42-31-30-38(33-16-5-2-6-17-33)47-40-20-9-12-24-44(40)51-48(42)47/h1-31H
InChIKeyOVAJAPHXHWDBDJ-UHFFFAOYSA-N
MW685.92 g/mol
LogP14.89
Rot. Bonds6

About N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine

N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 171434825) has the molecular formula C48H31NS2 and a molecular weight of 685.92 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
PubChem CID171434825
Molecular FormulaC48H31NS2
Molecular Weight685.92 g/mol
Exact Mass685.19
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C48H31NS2/c1-3-14-32(15-4-1)36-18-7-10-22-41(36)49(35-28-26-34(27-29-35)37-21-13-25-45-46(37)39-19-8-11-23-43(39)50-45)42-31-30-38(33-16-5-2-6-17-33)47-40-20-9-12-24-44(40)51-48(42)47/h1-31H
InChIKeyOVAJAPHXHWDBDJ-UHFFFAOYSA-N
XLogP14.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.92
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171435004
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435369
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 171435319
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 171434495
N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine
CID 171435230
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 171435113
N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 170038276
N-dibenzothiophen-4-yl-N-(4-dibenzothiophen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396325
N-(2-phenylphenyl)-N-(4-phenylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 165017438

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine (CID 171434825) is N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is OVAJAPHXHWDBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS2/c1-3-14-32(15-4-1)36-18-7-10-22-41(36)49(35-28-26-34(27-29-35)37-21-13-25-45-46(37)39-19-8-11-23-43(39)50-45)42-31-30-38(33-16-5-2-6-17-33)47-40-20-9-12-24-44(40)51-48(42)47/h1-31H.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 685.92 g/mol, XLogP of 14.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 171434825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).