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

C36H21Cl2NS2 — CID 146588785

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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Related Compounds

8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine
CID 146588933
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
3-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 90076169
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
7-N-(1-chlorodibenzothiophen-3-yl)-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146551481
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338

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).