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

C46H29NOS — CID 167235675

IUPACN-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C46H29NOS/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(33-23-26-46-41(28-33)40-17-7-9-20-45(40)49-46)34-22-25-39-38-16-6-8-19-43(38)48-44(39)29-34/h1-29H
InChIKeyAKHULCVYAZZJMO-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

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

N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine (PubChem CID 167235675) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
PubChem CID167235675
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C46H29NOS/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(33-23-26-46-41(28-33)40-17-7-9-20-45(40)49-46)34-22-25-39-38-16-6-8-19-43(38)48-44(39)29-34/h1-29H
InChIKeyAKHULCVYAZZJMO-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167233790
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235674
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 167234918
N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 160932479
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158126974
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine (CID 167235675) is N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is AKHULCVYAZZJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/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(33-23-26-46-41(28-33)40-17-7-9-20-45(40)49-46)34-22-25-39-38-16-6-8-19-43(38)48-44(39)29-34/h1-29H.
What are the key properties of N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine?
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 643.81 g/mol, XLogP of 13.91, 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)dibenzofuran-3-amine is sourced from PubChem (CID 167235675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).