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

C42H27NS2 — CID 171435004

IUPACN-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2N(c2cccc3c2sc2ccccc23)c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C42H27NS2/c1-3-14-28(15-4-1)30-18-7-10-22-35(30)43(36-23-13-21-33-32-19-8-11-24-38(32)44-41(33)36)37-27-26-31(29-16-5-2-6-17-29)40-34-20-9-12-25-39(34)45-42(37)40/h1-27H
InChIKeyGJPUHNCHKGKUHU-UHFFFAOYSA-N
MW609.82 g/mol
LogP13.23
Rot. Bonds5

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

N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 171435004) has the molecular formula C42H27NS2 and a molecular weight of 609.82 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
PubChem CID171435004
Molecular FormulaC42H27NS2
Molecular Weight609.82 g/mol
Exact Mass609.16
IUPAC NameN-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2N(c2cccc3c2sc2ccccc23)c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C42H27NS2/c1-3-14-28(15-4-1)30-18-7-10-22-35(30)43(36-23-13-21-33-32-19-8-11-24-38(32)44-41(33)36)37-27-26-31(29-16-5-2-6-17-29)40-34-20-9-12-25-39(34)45-42(37)40/h1-27H
InChIKeyGJPUHNCHKGKUHU-UHFFFAOYSA-N
XLogP13.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.82
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434825
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789332
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177080685
N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434642
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 167325325
N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086567
N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 171435319
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine (CID 171435004) is N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccccc2N(c2cccc3c2sc2ccccc23)c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is GJPUHNCHKGKUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS2/c1-3-14-28(15-4-1)30-18-7-10-22-35(30)43(36-23-13-21-33-32-19-8-11-24-38(32)44-41(33)36)37-27-26-31(29-16-5-2-6-17-29)40-34-20-9-12-25-39(34)45-42(37)40/h1-27H.
What are the key properties of N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 609.82 g/mol, XLogP of 13.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 171435004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).