N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine

C52H33NOS — CID 167397227

IUPACN-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc3c2)cc1
InChIInChI=1S/C52H33NOS/c1-3-11-34(12-4-1)37-21-22-39-32-42(29-25-38(39)31-37)53(41-27-23-35(24-28-41)40-26-30-45-44-15-7-8-20-49(44)55-50(45)33-40)48-19-10-18-47-46-17-9-16-43(51(46)54-52(47)48)36-13-5-2-6-14-36/h1-33H
InChIKeyVGNSVOZXXCJXEW-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine

N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine (PubChem CID 167397227) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
PubChem CID167397227
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc3c2)cc1
InChIInChI=1S/C52H33NOS/c1-3-11-34(12-4-1)37-21-22-39-32-42(29-25-38(39)31-37)53(41-27-23-35(24-28-41)40-26-30-45-44-15-7-8-20-49(44)55-50(45)33-40)48-19-10-18-47-46-17-9-16-43(51(46)54-52(47)48)36-13-5-2-6-14-36/h1-33H
InChIKeyVGNSVOZXXCJXEW-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-N-(2-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397552
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396444
N-dibenzothiophen-2-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167396326
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397670
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 167397714
N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396362
N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167144638
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435491
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 167324054
N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396254
6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine
CID 174244658
N-dibenzofuran-4-yl-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397315

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine (CID 167397227) is N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine is c1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc3c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The InChIKey is VGNSVOZXXCJXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-3-11-34(12-4-1)37-21-22-39-32-42(29-25-38(39)31-37)53(41-27-23-35(24-28-41)40-26-30-45-44-15-7-8-20-49(44)55-50(45)33-40)48-19-10-18-47-46-17-9-16-43(51(46)54-52(47)48)36-13-5-2-6-14-36/h1-33H.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 167397227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).