N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine

C46H29NOS — CID 168766762

IUPACN-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C46H29NOS/c1-2-17-36-30(11-1)12-9-20-37(36)31-13-7-15-33(27-31)47(35-25-26-44-42(29-35)39-18-3-5-23-43(39)48-44)34-16-8-14-32(28-34)38-21-10-22-41-40-19-4-6-24-45(40)49-46(38)41/h1-29H
InChIKeyJZGBDYUAQQUQPA-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine

N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine (PubChem CID 168766762) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
PubChem CID168766762
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C46H29NOS/c1-2-17-36-30(11-1)12-9-20-37(36)31-13-7-15-33(27-31)47(35-25-26-44-42(29-35)39-18-3-5-23-43(39)48-44)34-16-8-14-32(28-34)38-21-10-22-41-40-19-4-6-24-45(40)49-46(38)41/h1-29H
InChIKeyJZGBDYUAQQUQPA-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-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168767493
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767519
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 168766755
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 168846117
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535193
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170535112
N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
CID 168766720
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine (CID 168766762) is N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine is c1cc(-c2cccc3ccccc23)cc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The InChIKey is JZGBDYUAQQUQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-17-36-30(11-1)12-9-20-37(36)31-13-7-15-33(27-31)47(35-25-26-44-42(29-35)39-18-3-5-23-43(39)48-44)34-16-8-14-32(28-34)38-21-10-22-41-40-19-4-6-24-45(40)49-46(38)41/h1-29H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-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-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 168766762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).