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N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine

C36H21Cl2NS2 — CID 146588785

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine
SMILESClc1cc(Cl)cc(-c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc23)c1
InChIInChI=1S/C36H21Cl2NS2/c37-24-16-23(17-25(38)19-24)22-10-13-30-32-21-28(12-15-35(32)41-36(30)18-22)39(26-6-2-1-3-7-26)27-11-14-34-31(20-27)29-8-4-5-9-33(29)40-34/h1-21H
InChIKeyBYJFTYADZSQMGJ-UHFFFAOYSA-N
MW602.61 g/mol
LogP12.87
Rot. Bonds4

About N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine

N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine (PubChem CID 146588785) has the molecular formula C36H21Cl2NS2 and a molecular weight of 602.61 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine
PubChem CID146588785
Molecular FormulaC36H21Cl2NS2
Molecular Weight602.61 g/mol
Exact Mass601.05
IUPAC NameN-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine
SMILESClc1cc(Cl)cc(-c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc23)c1
InChIInChI=1S/C36H21Cl2NS2/c37-24-16-23(17-25(38)19-24)22-10-13-30-32-21-28(12-15-35(32)41-36(30)18-22)39(26-6-2-1-3-7-26)27-11-14-34-31(20-27)29-8-4-5-9-33(29)40-34/h1-21H
InChIKeyBYJFTYADZSQMGJ-UHFFFAOYSA-N
XLogP12.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.61
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine (CID 146588785) is N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine is Clc1cc(Cl)cc(-c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc23)c1.
What is the InChIKey of N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine?
The InChIKey is BYJFTYADZSQMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21Cl2NS2/c37-24-16-23(17-25(38)19-24)22-10-13-30-32-21-28(12-15-35(32)41-36(30)18-22)39(26-6-2-1-3-7-26)27-11-14-34-31(20-27)29-8-4-5-9-33(29)40-34/h1-21H.
What are the key properties of N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine?
N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine has a molecular weight of 602.61 g/mol, XLogP of 12.87, 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-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 146588785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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