10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine

C64H40N10O2 — CID 129291692

IUPAC10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)cc(-c4cc(-c5cccnc5)nc(-c5ccccn5)n4)c3)n2)nc1
InChIInChI=1S/C64H40N10O2/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-34-44(35-48(36-47)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)43-31-45(53-37-51(41-15-13-27-65-39-41)69-63(71-53)49-17-9-11-29-67-49)33-46(32-43)54-38-52(42-16-14-28-66-40-42)70-64(72-54)50-18-10-12-30-68-50/h1-40H
InChIKeyYIFFBFNHVCIYCQ-UHFFFAOYSA-N
MW981.09 g/mol
LogP15.67
Rot. Bonds9

About 10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine

10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 129291692) has the molecular formula C64H40N10O2 and a molecular weight of 981.09 g/mol. Its IUPAC name is 10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine
PubChem CID129291692
Molecular FormulaC64H40N10O2
Molecular Weight981.09 g/mol
Exact Mass980.33
IUPAC Name10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)cc(-c4cc(-c5cccnc5)nc(-c5ccccn5)n4)c3)n2)nc1
InChIInChI=1S/C64H40N10O2/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-34-44(35-48(36-47)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)43-31-45(53-37-51(41-15-13-27-65-39-41)69-63(71-53)49-17-9-11-29-67-49)33-46(32-43)54-38-52(42-16-14-28-66-40-42)70-64(72-54)50-18-10-12-30-68-50/h1-40H
InChIKeyYIFFBFNHVCIYCQ-UHFFFAOYSA-N
XLogP15.67
TPSA128.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500981.09
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

(3S)-4-[7-(5-methoxy-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703526
4-(3-methyl-2-(2-pyridinyl)-1,8-naphthyridin-4-yl)-6-(4-morpholinyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 67285250
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028224
US10196391, Example 38
CID 121456100
4-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline
CID 2546886
1-(2-Methoxyphenyl)-4-{6-[(3-methylphenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-YL}piperazine
CID 20960854
10-[5,7-Bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290704
10-[4-Phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290713
10-[6,8-Bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290751
10-[3-(2,6-Diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291584
10-[3-[3-(2,6-Diphenylpyrimidin-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291667
N-[(1Z,3E)-4-[4-[3-(8-phenylmethoxyquinolin-2-yl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]penta-1,3-dienyl]methanimine
CID 134223928

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine?
The IUPAC name of 10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine (CID 129291692) is 10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine?
The canonical SMILES for 10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine is c1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4)cc(-c4cc(-c5cccnc5)nc(-c5ccccn5)n4)c3)n2)nc1.
What is the InChIKey of 10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine?
The InChIKey is YIFFBFNHVCIYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N10O2/c1-5-23-59-55(19-1)73(56-20-2-6-24-60(56)75-59)47-34-44(35-48(36-47)74-57-21-3-7-25-61(57)76-62-26-8-4-22-58(62)74)43-31-45(53-37-51(41-15-13-27-65-39-41)69-63(71-53)49-17-9-11-29-67-49)33-46(32-43)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-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine?
10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 981.09 g/mol, XLogP of 15.67, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3,5-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 129291692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).