N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine

C36H23NS2 — CID 171435323

IUPACN-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3c(sc4ccccc43)c2N(c2ccccc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C36H23NS2/c1-3-12-24(13-4-1)26-22-23-28-27-16-7-9-19-31(27)39-36(28)35(26)37(25-14-5-2-6-15-25)30-18-11-21-33-34(30)29-17-8-10-20-32(29)38-33/h1-23H
InChIKeyFWGVUUJHXARSOW-UHFFFAOYSA-N
MW533.72 g/mol
LogP11.56
Rot. Bonds4

About N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine

N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine (PubChem CID 171435323) has the molecular formula C36H23NS2 and a molecular weight of 533.72 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine
PubChem CID171435323
Molecular FormulaC36H23NS2
Molecular Weight533.72 g/mol
Exact Mass533.13
IUPAC NameN-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3c(sc4ccccc43)c2N(c2ccccc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C36H23NS2/c1-3-12-24(13-4-1)26-22-23-28-27-16-7-9-19-31(27)39-36(28)35(26)37(25-14-5-2-6-15-25)30-18-11-21-33-34(30)29-17-8-10-20-32(29)38-33/h1-23H
InChIKeyFWGVUUJHXARSOW-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-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434642
N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435085
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435440
N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 171435164
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzothiophen-4-amine
CID 171435299
N-dibenzothiophen-4-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 171435177
N-dibenzothiophen-4-yl-6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 153434003
N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727136
N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine
CID 167396471
N-dibenzothiophen-2-yl-N-phenanthren-9-yl-3-phenyldibenzothiophen-4-amine
CID 171434472
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine
CID 165158314

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine (CID 171435323) is N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine is c1ccc(-c2ccc3c(sc4ccccc43)c2N(c2ccccc2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine?
The InChIKey is FWGVUUJHXARSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS2/c1-3-12-24(13-4-1)26-22-23-28-27-16-7-9-19-31(27)39-36(28)35(26)37(25-14-5-2-6-15-25)30-18-11-21-33-34(30)29-17-8-10-20-32(29)38-33/h1-23H.
What are the key properties of N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine?
N-dibenzothiophen-1-yl-N,3-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-1-yl-N,3-diphenyldibenzothiophen-4-amine is sourced from PubChem (CID 171435323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).