6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine

C50H31NOS — CID 167339368

IUPAC6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3oc4c5ccccc5cc(-c5cccc6sc7ccccc7c56)c4c3c2)cc1
InChIInChI=1S/C50H31NOS/c1-2-14-37(15-3-1)51(38-25-23-33(24-26-38)35-22-21-32-11-4-5-12-34(32)29-35)39-27-28-45-44(31-39)49-43(30-36-13-6-7-16-40(36)50(49)52-45)41-18-10-20-47-48(41)42-17-8-9-19-46(42)53-47/h1-31H
InChIKeyOFOLEXUXCTYVGF-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.06
Rot. Bonds5

About 6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine

6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167339368) has the molecular formula C50H31NOS and a molecular weight of 693.87 g/mol. Its IUPAC name is 6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167339368
Molecular FormulaC50H31NOS
Molecular Weight693.87 g/mol
Exact Mass693.21
IUPAC Name6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3oc4c5ccccc5cc(-c5cccc6sc7ccccc7c56)c4c3c2)cc1
InChIInChI=1S/C50H31NOS/c1-2-14-37(15-3-1)51(38-25-23-33(24-26-38)35-22-21-32-11-4-5-12-34(32)29-35)39-27-28-45-44(31-39)49-43(30-36-13-6-7-16-40(36)50(49)52-45)41-18-10-20-47-48(41)42-17-8-9-19-46(42)53-47/h1-31H
InChIKeyOFOLEXUXCTYVGF-UHFFFAOYSA-N
XLogP15.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.87
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167339356
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330248
6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167543413
N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
CID 166055489
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 172508784
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738192
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864
6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176844498
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 167324054
N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 168767541
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039350
7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 158872648

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of 6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine (CID 167339368) is 6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for 6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for 6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3oc4c5ccccc5cc(-c5cccc6sc7ccccc7c56)c4c3c2)cc1.
What is the InChIKey of 6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is OFOLEXUXCTYVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NOS/c1-2-14-37(15-3-1)51(38-25-23-33(24-26-38)35-22-21-32-11-4-5-12-34(32)29-35)39-27-28-45-44(31-39)49-43(30-36-13-6-7-16-40(36)50(49)52-45)41-18-10-20-47-48(41)42-17-8-9-19-46(42)53-47/h1-31H.
What are the key properties of 6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 693.87 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167339368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).