N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine

C36H23NS2 — CID 171435230

IUPACN-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C36H23NS2/c1-3-11-24(12-4-1)27-20-21-31(36-35(27)29-16-8-10-18-33(29)39-36)37(25-13-5-2-6-14-25)26-19-22-34-30(23-26)28-15-7-9-17-32(28)38-34/h1-23H
InChIKeyHAEQSEWLYCGPTB-UHFFFAOYSA-N
MW533.72 g/mol
LogP11.56
Rot. Bonds4

About N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine

N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine (PubChem CID 171435230) has the molecular formula C36H23NS2 and a molecular weight of 533.72 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine
PubChem CID171435230
Molecular FormulaC36H23NS2
Molecular Weight533.72 g/mol
Exact Mass533.13
IUPAC NameN-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C36H23NS2/c1-3-11-24(12-4-1)27-20-21-31(36-35(27)29-16-8-10-18-33(29)39-36)37(25-13-5-2-6-14-25)26-19-22-34-30(23-26)28-15-7-9-17-32(28)38-34/h1-23H
InChIKeyHAEQSEWLYCGPTB-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-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435369
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 171434495
N-dibenzothiophen-2-yl-N-phenanthren-9-yl-1-phenyldibenzothiophen-4-amine
CID 171435211
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 71126719
N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
CID 170040717
N-(4-naphthalen-2-ylphenyl)-1-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 175615775
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434505
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 155122803
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 160550206
N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434825
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171434983
N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine
CID 129085320

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine (CID 171435230) is N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c3sc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine?
The InChIKey is HAEQSEWLYCGPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS2/c1-3-11-24(12-4-1)27-20-21-31(36-35(27)29-16-8-10-18-33(29)39-36)37(25-13-5-2-6-14-25)26-19-22-34-30(23-26)28-15-7-9-17-32(28)38-34/h1-23H.
What are the key properties of N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine?
N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-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,1-diphenyldibenzothiophen-4-amine is sourced from PubChem (CID 171435230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).