10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine

C60H36N12O2 — CID 129290644

IUPAC10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5nc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1
InChIInChI=1S/C60H36N12O2/c1-5-23-51-45(19-1)71(46-20-2-6-24-52(46)73-51)49-33-39(57-65-55(37-15-13-27-61-35-37)67-59(69-57)43-17-9-11-29-63-43)32-42-41(49)31-40(34-50(42)72-47-21-3-7-25-53(47)74-54-26-8-4-22-48(54)72)58-66-56(38-16-14-28-62-36-38)68-60(70-58)44-18-10-12-30-64-44/h1-36H
InChIKeyAGTUUUQMFOTNHV-UHFFFAOYSA-N
MW957.03 g/mol
LogP13.94
Rot. Bonds8

About 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine

10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (PubChem CID 129290644) has the molecular formula C60H36N12O2 and a molecular weight of 957.03 g/mol. Its IUPAC name is 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
PubChem CID129290644
Molecular FormulaC60H36N12O2
Molecular Weight957.03 g/mol
Exact Mass956.31
IUPAC Name10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5nc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1
InChIInChI=1S/C60H36N12O2/c1-5-23-51-45(19-1)71(46-20-2-6-24-52(46)73-51)49-33-39(57-65-55(37-15-13-27-61-35-37)67-59(69-57)43-17-9-11-29-63-43)32-42-41(49)31-40(34-50(42)72-47-21-3-7-25-53(47)74-54-26-8-4-22-48(54)72)58-66-56(38-16-14-28-62-36-38)68-60(70-58)44-18-10-12-30-64-44/h1-36H
InChIKeyAGTUUUQMFOTNHV-UHFFFAOYSA-N
XLogP13.94
TPSA153.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500957.03
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (CID 129290644) is 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is c1ccc(-c2nc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5nc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.
What is the InChIKey of 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The InChIKey is AGTUUUQMFOTNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N12O2/c1-5-23-51-45(19-1)71(46-20-2-6-24-52(46)73-51)49-33-39(57-65-55(37-15-13-27-61-35-37)67-59(69-57)43-17-9-11-29-63-43)32-42-41(49)31-40(34-50(42)72-47-21-3-7-25-53(47)74-54-26-8-4-22-48(54)72)58-66-56(38-16-14-28-62-36-38)68-60(70-58)44-18-10-12-30-64-44/h1-36H.
What are the key properties of 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine has a molecular weight of 957.03 g/mol, XLogP of 13.94, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129290644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).