N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine

C52H31NO2S — CID 174291189

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc3c2sc2ccccc23)c(-c2ccc3oc4cc5ccccc5cc4c3c2)c1
InChIInChI=1S/C52H31NO2S/c1-2-11-34-31-50-44(28-33(34)10-1)43-30-36(23-27-49(43)55-50)38-12-3-6-16-45(38)53(46-17-9-15-41-40-14-5-8-19-51(40)56-52(41)46)37-24-20-32(21-25-37)35-22-26-48-42(29-35)39-13-4-7-18-47(39)54-48/h1-31H
InChIKeyCQZDMHGDZLATRD-UHFFFAOYSA-N
MW733.89 g/mol
LogP15.81
Rot. Bonds5

About N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine

N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine (PubChem CID 174291189) has the molecular formula C52H31NO2S and a molecular weight of 733.89 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine
PubChem CID174291189
Molecular FormulaC52H31NO2S
Molecular Weight733.89 g/mol
Exact Mass733.21
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc3c2sc2ccccc23)c(-c2ccc3oc4cc5ccccc5cc4c3c2)c1
InChIInChI=1S/C52H31NO2S/c1-2-11-34-31-50-44(28-33(34)10-1)43-30-36(23-27-49(43)55-50)38-12-3-6-16-45(38)53(46-17-9-15-41-40-14-5-8-19-51(40)56-52(41)46)37-24-20-32(21-25-37)35-22-26-48-42(29-35)39-13-4-7-18-47(39)54-48/h1-31H
InChIKeyCQZDMHGDZLATRD-UHFFFAOYSA-N
XLogP15.81
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.89
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718857
N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 170015914
N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170675645
N-(4-dibenzofuran-3-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
CID 167326001
N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163775323
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167182355
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 167325463
N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167234398
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
2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170015375
N-dibenzothiophen-4-yl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605749

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine (CID 174291189) is N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine is c1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc3c2sc2ccccc23)c(-c2ccc3oc4cc5ccccc5cc4c3c2)c1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is CQZDMHGDZLATRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO2S/c1-2-11-34-31-50-44(28-33(34)10-1)43-30-36(23-27-49(43)55-50)38-12-3-6-16-45(38)53(46-17-9-15-41-40-14-5-8-19-51(40)56-52(41)46)37-24-20-32(21-25-37)35-22-26-48-42(29-35)39-13-4-7-18-47(39)54-48/h1-31H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 733.89 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 174291189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).