N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine

C36H23NS2 — CID 90350979

IUPACN-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C36H23NS2/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)37(27-18-20-35-31(22-27)29-10-4-6-12-33(29)38-35)28-19-21-36-32(23-28)30-11-5-7-13-34(30)39-36/h1-23H
InChIKeyLATJIGTVUPQBII-UHFFFAOYSA-N
MW533.72 g/mol
LogP11.56
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 90350979) has the molecular formula C36H23NS2 and a molecular weight of 533.72 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID90350979
Molecular FormulaC36H23NS2
Molecular Weight533.72 g/mol
Exact Mass533.13
IUPAC NameN-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C36H23NS2/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)37(27-18-20-35-31(22-27)29-10-4-6-12-33(29)38-35)28-19-21-36-32(23-28)30-11-5-7-13-34(30)39-36/h1-23H
InChIKeyLATJIGTVUPQBII-UHFFFAOYSA-N
XLogP11.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.72
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
CID 155135337
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(37),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28(36),29,31,33-octadecaen-5-amine
CID 130465151

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 90350979) is N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is LATJIGTVUPQBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS2/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)37(27-18-20-35-31(22-27)29-10-4-6-12-33(29)38-35)28-19-21-36-32(23-28)30-11-5-7-13-34(30)39-36/h1-23H.
What are the key properties of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 533.72 g/mol, XLogP of 11.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 90350979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).