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

C52H31NOS2 — CID 138718857

IUPAC7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4cc(-c6ccc7oc8ccccc8c7c6)ccc45)cc3)cccc2c1
InChIInChI=1S/C52H31NOS2/c1-2-12-37-32(10-1)11-7-15-38(37)33-22-26-36(27-23-33)53(45-18-8-16-42-40-14-4-6-21-49(40)55-51(42)45)46-19-9-17-43-41-28-24-35(31-50(41)56-52(43)46)34-25-29-48-44(30-34)39-13-3-5-20-47(39)54-48/h1-31H
InChIKeyOHMWPDUFZJTWHU-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.28
Rot. Bonds5

About 7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine

7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine (PubChem CID 138718857) has the molecular formula C52H31NOS2 and a molecular weight of 749.96 g/mol. Its IUPAC name is 7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound Name7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
PubChem CID138718857
Molecular FormulaC52H31NOS2
Molecular Weight749.96 g/mol
Exact Mass749.18
IUPAC Name7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4cc(-c6ccc7oc8ccccc8c7c6)ccc45)cc3)cccc2c1
InChIInChI=1S/C52H31NOS2/c1-2-12-37-32(10-1)11-7-15-38(37)33-22-26-36(27-23-33)53(45-18-8-16-42-40-14-4-6-21-49(40)55-51(42)45)46-19-9-17-43-41-28-24-35(31-50(41)56-52(43)46)34-25-29-48-44(30-34)39-13-3-5-20-47(39)54-48/h1-31H
InChIKeyOHMWPDUFZJTWHU-UHFFFAOYSA-N
XLogP16.28
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170032627
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
N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine
CID 174291189
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
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167182355
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167234398
N-dibenzothiophen-4-yl-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 154605494
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-(4-dibenzofuran-1-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167234327

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of 7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine (CID 138718857) is 7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for 7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for 7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine is c1ccc2c(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4cc(-c6ccc7oc8ccccc8c7c6)ccc45)cc3)cccc2c1.
What is the InChIKey of 7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is OHMWPDUFZJTWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NOS2/c1-2-12-37-32(10-1)11-7-15-38(37)33-22-26-36(27-23-33)53(45-18-8-16-42-40-14-4-6-21-49(40)55-51(42)45)46-19-9-17-43-41-28-24-35(31-50(41)56-52(43)46)34-25-29-48-44(30-34)39-13-3-5-20-47(39)54-48/h1-31H.
What are the key properties of 7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine?
7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 749.96 g/mol, XLogP of 16.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 138718857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).