N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine

C40H23Cl2NOS — CID 146588852

IUPACN-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine
SMILESClc1cc(Cl)cc(-c2cccc3c(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)cccc23)c1
InChIInChI=1S/C40H23Cl2NOS/c41-25-19-24(20-26(42)21-25)29-9-5-11-31-30(29)10-6-12-36(31)43(27-15-17-38-34(22-27)32-7-1-3-13-37(32)44-38)28-16-18-40-35(23-28)33-8-2-4-14-39(33)45-40/h1-23H
InChIKeyZAKVDNZHGIDKTE-UHFFFAOYSA-N
MW636.60 g/mol
LogP13.55
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine

N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine (PubChem CID 146588852) has the molecular formula C40H23Cl2NOS and a molecular weight of 636.60 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine
PubChem CID146588852
Molecular FormulaC40H23Cl2NOS
Molecular Weight636.60 g/mol
Exact Mass635.09
IUPAC NameN-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine
SMILESClc1cc(Cl)cc(-c2cccc3c(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)cccc23)c1
InChIInChI=1S/C40H23Cl2NOS/c41-25-19-24(20-26(42)21-25)29-9-5-11-31-30(29)10-6-12-36(31)43(27-15-17-38-34(22-27)32-7-1-3-13-37(32)44-38)28-16-18-40-35(23-28)33-8-2-4-14-39(33)45-40/h1-23H
InChIKeyZAKVDNZHGIDKTE-UHFFFAOYSA-N
XLogP13.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.60
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]-N-phenyldibenzofuran-2-amine
CID 146588912
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788545
N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170666297
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-4-yldibenzofuran-2-amine
CID 170040658
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158126974
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170665574
N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine
CID 170665599
5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 146588768
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
CID 167396373
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine (CID 146588852) is N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine is Clc1cc(Cl)cc(-c2cccc3c(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)cccc23)c1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine?
The InChIKey is ZAKVDNZHGIDKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23Cl2NOS/c41-25-19-24(20-26(42)21-25)29-9-5-11-31-30(29)10-6-12-36(31)43(27-15-17-38-34(22-27)32-7-1-3-13-37(32)44-38)28-16-18-40-35(23-28)33-8-2-4-14-39(33)45-40/h1-23H.
What are the key properties of N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine?
N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine has a molecular weight of 636.60 g/mol, XLogP of 13.55, 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-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine is sourced from PubChem (CID 146588852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).