N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine

C40H25NS2 — CID 167323759

IUPACN-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2cccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C40H25NS2/c1-2-11-27-24-29(23-22-26(27)10-1)28-12-7-13-30(25-28)41(34-17-9-21-38-39(34)33-15-4-6-20-37(33)42-38)35-18-8-16-32-31-14-3-5-19-36(31)43-40(32)35/h1-25H
InChIKeyZIKGSAMSHJMGOM-UHFFFAOYSA-N
MW583.78 g/mol
LogP12.71
Rot. Bonds4

About N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine

N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine (PubChem CID 167323759) has the molecular formula C40H25NS2 and a molecular weight of 583.78 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
PubChem CID167323759
Molecular FormulaC40H25NS2
Molecular Weight583.78 g/mol
Exact Mass583.14
IUPAC NameN-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2cccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C40H25NS2/c1-2-11-27-24-29(23-22-26(27)10-1)28-12-7-13-30(25-28)41(34-17-9-21-38-39(34)33-15-4-6-20-37(33)42-38)35-18-8-16-32-31-14-3-5-19-36(31)43-40(32)35/h1-25H
InChIKeyZIKGSAMSHJMGOM-UHFFFAOYSA-N
XLogP12.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.78
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325681
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172500806
N-[2-[2-(N-dibenzothiophen-1-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167086900
N-dibenzothiophen-3-yl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 166566346
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-[2-[2-(N-dibenzothiophen-4-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167086859
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-[2-[2-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167086407
N-[2-[3-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167087052

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine (CID 167323759) is N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2cccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is ZIKGSAMSHJMGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NS2/c1-2-11-27-24-29(23-22-26(27)10-1)28-12-7-13-30(25-28)41(34-17-9-21-38-39(34)33-15-4-6-20-37(33)42-38)35-18-8-16-32-31-14-3-5-19-36(31)43-40(32)35/h1-25H.
What are the key properties of N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine?
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 583.78 g/mol, XLogP of 12.71, 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-naphthalen-2-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 167323759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).