N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine

C46H29NS2 — CID 167235674

IUPACN-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C46H29NS2/c1-2-11-31(12-3-1)37-24-21-32(36-18-10-14-30-13-4-5-15-35(30)36)27-42(37)47(33-23-26-45-41(28-33)39-17-7-9-20-44(39)48-45)34-22-25-40-38-16-6-8-19-43(38)49-46(40)29-34/h1-29H
InChIKeyVCTURKMYEREAEA-UHFFFAOYSA-N
MW659.88 g/mol
LogP14.38
Rot. Bonds5

About N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine

N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 167235674) has the molecular formula C46H29NS2 and a molecular weight of 659.88 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
PubChem CID167235674
Molecular FormulaC46H29NS2
Molecular Weight659.88 g/mol
Exact Mass659.17
IUPAC NameN-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C46H29NS2/c1-2-11-31(12-3-1)37-24-21-32(36-18-10-14-30-13-4-5-15-35(30)36)27-42(37)47(33-23-26-45-41(28-33)39-17-7-9-20-44(39)48-45)34-22-25-40-38-16-6-8-19-43(38)49-46(40)29-34/h1-29H
InChIKeyVCTURKMYEREAEA-UHFFFAOYSA-N
XLogP14.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.88
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167235675
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235827
N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167234295
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167235077
N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234029
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235358
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-2-amine
CID 167236302
N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235005
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502469

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine (CID 167235674) is N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is VCTURKMYEREAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NS2/c1-2-11-31(12-3-1)37-24-21-32(36-18-10-14-30-13-4-5-15-35(30)36)27-42(37)47(33-23-26-45-41(28-33)39-17-7-9-20-44(39)48-45)34-22-25-40-38-16-6-8-19-43(38)49-46(40)29-34/h1-29H.
What are the key properties of N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine?
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 659.88 g/mol, XLogP of 14.38, 5 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-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 167235674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).