4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine

C60H35FN2OS — CID 162473492

IUPAC4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine
SMILESFc1ccc(-c2ccc3oc4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6cccc(-c7ccc(-c8cccc9c8sc8cc%10ccccc%10cc89)cc7)c6)n5)c4c3c2)cc1
InChIInChI=1S/C60H35FN2OS/c61-47-27-24-38(25-28-47)44-26-29-55-52(33-44)58-50(16-7-17-56(58)64-55)54-35-53(45-23-20-36-8-1-2-9-40(36)30-45)62-60(63-54)46-13-5-12-41(31-46)37-18-21-39(22-19-37)48-14-6-15-49-51-32-42-10-3-4-11-43(42)34-57(51)65-59(48)49/h1-35H
InChIKeyRYQAIEDTJJAXRA-UHFFFAOYSA-N
MW851.02 g/mol
LogP17.19
Rot. Bonds6

About 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine

4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine (PubChem CID 162473492) has the molecular formula C60H35FN2OS and a molecular weight of 851.02 g/mol. Its IUPAC name is 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine
PubChem CID162473492
Molecular FormulaC60H35FN2OS
Molecular Weight851.02 g/mol
Exact Mass850.25
IUPAC Name4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine
SMILESFc1ccc(-c2ccc3oc4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6cccc(-c7ccc(-c8cccc9c8sc8cc%10ccccc%10cc89)cc7)c6)n5)c4c3c2)cc1
InChIInChI=1S/C60H35FN2OS/c61-47-27-24-38(25-28-47)44-26-29-55-52(33-44)58-50(16-7-17-56(58)64-55)54-35-53(45-23-20-36-8-1-2-9-40(36)30-45)62-60(63-54)46-13-5-12-41(31-46)37-18-21-39(22-19-37)48-14-6-15-49-51-32-42-10-3-4-11-43(42)34-57(51)65-59(48)49/h1-35H
InChIKeyRYQAIEDTJJAXRA-UHFFFAOYSA-N
XLogP17.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.02
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine (CID 162473492) is 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine is Fc1ccc(-c2ccc3oc4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6cccc(-c7ccc(-c8cccc9c8sc8cc%10ccccc%10cc89)cc7)c6)n5)c4c3c2)cc1.
What is the InChIKey of 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine?
The InChIKey is RYQAIEDTJJAXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35FN2OS/c61-47-27-24-38(25-28-47)44-26-29-55-52(33-44)58-50(16-7-17-56(58)64-55)54-35-53(45-23-20-36-8-1-2-9-40(36)30-45)62-60(63-54)46-13-5-12-41(31-46)37-18-21-39(22-19-37)48-14-6-15-49-51-32-42-10-3-4-11-43(42)34-57(51)65-59(48)49/h1-35H.
What are the key properties of 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine?
4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine has a molecular weight of 851.02 g/mol, XLogP of 17.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-fluorophenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-2-[3-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 162473492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).