N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine

C40H25NS2 — CID 129085320

IUPACN-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C40H25NS2/c1-2-10-27(11-3-1)41(28-19-20-34-32-14-6-8-16-37(32)43-40(34)25-28)36-22-21-29(30-12-4-5-13-31(30)36)26-18-23-39-35(24-26)33-15-7-9-17-38(33)42-39/h1-25H
InChIKeyIMYTUYTYOXLJKL-UHFFFAOYSA-N
MW583.78 g/mol
LogP12.71
Rot. Bonds4

About N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine

N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine (PubChem CID 129085320) has the molecular formula C40H25NS2 and a molecular weight of 583.78 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine
PubChem CID129085320
Molecular FormulaC40H25NS2
Molecular Weight583.78 g/mol
Exact Mass583.14
IUPAC NameN-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C40H25NS2/c1-2-10-27(11-3-1)41(28-19-20-34-32-14-6-8-16-37(32)43-40(34)25-28)36-22-21-29(30-12-4-5-13-31(30)36)26-18-23-39-35(24-26)33-15-7-9-17-38(33)42-39/h1-25H
InChIKeyIMYTUYTYOXLJKL-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

1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 71126719
5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 146588762
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine
CID 165158314
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
3-N-dibenzothiophen-2-yl-2-N,3-N-diphenyl-2-N-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzothiole-2,3-diamine
CID 166856566
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235674
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130
1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 165046461
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine (CID 129085320) is N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine is c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine?
The InChIKey is IMYTUYTYOXLJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NS2/c1-2-10-27(11-3-1)41(28-19-20-34-32-14-6-8-16-37(32)43-40(34)25-28)36-22-21-29(30-12-4-5-13-31(30)36)26-18-23-39-35(24-26)33-15-7-9-17-38(33)42-39/h1-25H.
What are the key properties of N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine?
N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-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-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 129085320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).