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

C46H29NS2 — CID 167235005

IUPACN-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C46H29NS2/c1-2-11-31(12-3-1)37-23-20-34(33-19-18-30-10-4-5-13-32(30)26-33)27-42(37)47(35-21-24-40-38-14-6-8-16-43(38)48-45(40)28-35)36-22-25-41-39-15-7-9-17-44(39)49-46(41)29-36/h1-29H
InChIKeySDDCMXYNRYKTKC-UHFFFAOYSA-N
MW659.88 g/mol
LogP14.38
Rot. Bonds5

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

N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 167235005) has the molecular formula C46H29NS2 and a molecular weight of 659.88 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
PubChem CID167235005
Molecular FormulaC46H29NS2
Molecular Weight659.88 g/mol
Exact Mass659.17
IUPAC NameN-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C46H29NS2/c1-2-11-31(12-3-1)37-23-20-34(33-19-18-30-10-4-5-13-32(30)26-33)27-42(37)47(35-21-24-40-38-14-6-8-16-43(38)48-45(40)28-35)36-22-25-41-39-15-7-9-17-44(39)49-46(41)29-36/h1-29H
InChIKeySDDCMXYNRYKTKC-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-(3-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235827
N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234545
N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234946
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-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167233880
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235674
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256597
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098532
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256598
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 168766924
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine
CID 166055539

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine (CID 167235005) is N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is SDDCMXYNRYKTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NS2/c1-2-11-31(12-3-1)37-23-20-34(33-19-18-30-10-4-5-13-32(30)26-33)27-42(37)47(35-21-24-40-38-14-6-8-16-43(38)48-45(40)28-35)36-22-25-41-39-15-7-9-17-44(39)49-46(41)29-36/h1-29H.
What are the key properties of N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine?
N-dibenzothiophen-3-yl-N-(5-naphthalen-2-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-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 167235005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).