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

C64H40N10OS — CID 129291712

IUPAC10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)nc1
InChIInChI=1S/C64H40N10OS/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-33-43(31-45(35-47)53-37-51(41-15-13-27-65-39-41)69-63(71-53)49-17-9-11-29-67-49)44-32-46(36-48(34-44)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)54-38-52(42-16-14-28-66-40-42)70-64(72-54)50-18-10-12-30-68-50/h1-40H
InChIKeyXULQLCNPIVSVOT-UHFFFAOYSA-N
MW997.16 g/mol
LogP16.03
Rot. Bonds9

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

10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine (PubChem CID 129291712) has the molecular formula C64H40N10OS and a molecular weight of 997.16 g/mol. Its IUPAC name is 10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine
PubChem CID129291712
Molecular FormulaC64H40N10OS
Molecular Weight997.16 g/mol
Exact Mass996.31
IUPAC Name10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)nc1
InChIInChI=1S/C64H40N10OS/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-33-43(31-45(35-47)53-37-51(41-15-13-27-65-39-41)69-63(71-53)49-17-9-11-29-67-49)44-32-46(36-48(34-44)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)54-38-52(42-16-14-28-66-40-42)70-64(72-54)50-18-10-12-30-68-50/h1-40H
InChIKeyXULQLCNPIVSVOT-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-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine (CID 129291712) is 10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine is c1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)nc1.
What is the InChIKey of 10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine?
The InChIKey is XULQLCNPIVSVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N10OS/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-33-43(31-45(35-47)53-37-51(41-15-13-27-65-39-41)69-63(71-53)49-17-9-11-29-67-49)44-32-46(36-48(34-44)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)54-38-52(42-16-14-28-66-40-42)70-64(72-54)50-18-10-12-30-68-50/h1-40H.
What are the key properties of 10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine?
10-[3-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)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-[3-phenothiazin-10-yl-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine is sourced from PubChem (CID 129291712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).