10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine

C60H36N12O2 — CID 129290667

IUPAC10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccn3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)cc4c(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)cc34)n2)nc1
InChIInChI=1S/C60H36N12O2/c1-5-25-51-47(21-1)71(48-22-2-6-26-52(48)73-51)37-33-39-40(41(35-37)55-65-57(43-17-9-13-29-61-43)69-58(66-55)44-18-10-14-30-62-44)34-38(72-49-23-3-7-27-53(49)74-54-28-8-4-24-50(54)72)36-42(39)56-67-59(45-19-11-15-31-63-45)70-60(68-56)46-20-12-16-32-64-46/h1-36H
InChIKeyPVWXISPWMDXCIS-UHFFFAOYSA-N
MW957.03 g/mol
LogP13.94
Rot. Bonds8

About 10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine

10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine (PubChem CID 129290667) has the molecular formula C60H36N12O2 and a molecular weight of 957.03 g/mol. Its IUPAC name is 10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine
PubChem CID129290667
Molecular FormulaC60H36N12O2
Molecular Weight957.03 g/mol
Exact Mass956.31
IUPAC Name10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccn3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)cc4c(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)cc34)n2)nc1
InChIInChI=1S/C60H36N12O2/c1-5-25-51-47(21-1)71(48-22-2-6-26-52(48)73-51)37-33-39-40(41(35-37)55-65-57(43-17-9-13-29-61-43)69-58(66-55)44-18-10-14-30-62-44)34-38(72-49-23-3-7-27-53(49)74-54-28-8-4-24-50(54)72)36-42(39)56-67-59(45-19-11-15-31-63-45)70-60(68-56)46-20-12-16-32-64-46/h1-36H
InChIKeyPVWXISPWMDXCIS-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

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Frequently Asked Questions

What is the IUPAC name of 10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine?
The IUPAC name of 10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine (CID 129290667) is 10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine.
What is the SMILES notation for 10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine?
The canonical SMILES for 10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine is c1ccc(-c2nc(-c3ccccn3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)cc4c(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)cc34)n2)nc1.
What is the InChIKey of 10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine?
The InChIKey is PVWXISPWMDXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N12O2/c1-5-25-51-47(21-1)71(48-22-2-6-26-52(48)73-51)37-33-39-40(41(35-37)55-65-57(43-17-9-13-29-61-43)69-58(66-55)44-18-10-14-30-62-44)34-38(72-49-23-3-7-27-53(49)74-54-28-8-4-24-50(54)72)36-42(39)56-67-59(45-19-11-15-31-63-45)70-60(68-56)46-20-12-16-32-64-46/h1-36H.
What are the key properties of 10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine?
10-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-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-[4,8-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine is sourced from PubChem (CID 129290667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).