N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine

C40H25NOS — CID 167325463

IUPACN-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3ccccc23)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C40H25NOS/c1-2-12-29-26(10-1)11-9-17-36(29)41(28-21-22-33-32-15-5-8-19-39(32)43-40(33)25-28)35-16-6-3-13-30(35)27-20-23-38-34(24-27)31-14-4-7-18-37(31)42-38/h1-25H
InChIKeyMZHCHLRQVCYPIN-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

About N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine

N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine (PubChem CID 167325463) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
PubChem CID167325463
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3ccccc23)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C40H25NOS/c1-2-12-29-26(10-1)11-9-17-36(29)41(28-21-22-33-32-15-5-8-19-39(32)43-40(33)25-28)35-16-6-3-13-30(35)27-20-23-38-34(24-27)31-14-4-7-18-37(31)42-38/h1-25H
InChIKeyMZHCHLRQVCYPIN-UHFFFAOYSA-N
XLogP12.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170665574
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 161336699
N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767128
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 163499042
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
CID 167325268
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 167324801
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 170666103
N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine
CID 170665860

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine?
The IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine (CID 167325463) is N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine?
The canonical SMILES for N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine is c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3ccccc23)c(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine?
The InChIKey is MZHCHLRQVCYPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-12-29-26(10-1)11-9-17-36(29)41(28-21-22-33-32-15-5-8-19-39(32)43-40(33)25-28)35-16-6-3-13-30(35)27-20-23-38-34(24-27)31-14-4-7-18-37(31)42-38/h1-25H.
What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine?
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine has a molecular weight of 567.71 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine is sourced from PubChem (CID 167325463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).