10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine

C64H40N10OS — CID 129291708

IUPAC10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4cc(-c5nc(-c6ccccn6)cc(-c6ccccn6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)nc1
InChIInChI=1S/C64H40N10OS/c1-5-25-59-55(21-1)73(56-22-2-6-26-60(56)75-59)45-35-41(33-43(37-45)63-69-51(47-17-9-13-29-65-47)39-52(70-63)48-18-10-14-30-66-48)42-34-44(38-46(36-42)74-57-23-3-7-27-61(57)76-62-28-8-4-24-58(62)74)64-71-53(49-19-11-15-31-67-49)40-54(72-64)50-20-12-16-32-68-50/h1-40H
InChIKeyULBYWBWWFFUEAM-UHFFFAOYSA-N
MW997.16 g/mol
LogP16.03
Rot. Bonds9

About 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine

10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine (PubChem CID 129291708) has the molecular formula C64H40N10OS and a molecular weight of 997.16 g/mol. Its IUPAC name is 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
PubChem CID129291708
Molecular FormulaC64H40N10OS
Molecular Weight997.16 g/mol
Exact Mass996.31
IUPAC Name10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4cc(-c5nc(-c6ccccn6)cc(-c6ccccn6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)nc1
InChIInChI=1S/C64H40N10OS/c1-5-25-59-55(21-1)73(56-22-2-6-26-60(56)75-59)45-35-41(33-43(37-45)63-69-51(47-17-9-13-29-65-47)39-52(70-63)48-18-10-14-30-66-48)42-34-44(38-46(36-42)74-57-23-3-7-27-61(57)76-62-28-8-4-24-58(62)74)64-71-53(49-19-11-15-31-67-49)40-54(72-64)50-20-12-16-32-68-50/h1-40H
InChIKeyULBYWBWWFFUEAM-UHFFFAOYSA-N
XLogP16.03
TPSA118.83 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500997.16
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine?
The IUPAC name of 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine (CID 129291708) is 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine is c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4cc(-c5nc(-c6ccccn6)cc(-c6ccccn6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)nc1.
What is the InChIKey of 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine?
The InChIKey is ULBYWBWWFFUEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N10OS/c1-5-25-59-55(21-1)73(56-22-2-6-26-60(56)75-59)45-35-41(33-43(37-45)63-69-51(47-17-9-13-29-65-47)39-52(70-63)48-18-10-14-30-66-48)42-34-44(38-46(36-42)74-57-23-3-7-27-61(57)76-62-28-8-4-24-58(62)74)64-71-53(49-19-11-15-31-67-49)40-54(72-64)50-20-12-16-32-68-50/h1-40H.
What are the key properties of 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine?
10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine has a molecular weight of 997.16 g/mol, XLogP of 16.03, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine is sourced from PubChem (CID 129291708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).