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

C60H36N12O2 — CID 129290700

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

10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (PubChem CID 129290700) has the molecular formula C60H36N12O2 and a molecular weight of 957.03 g/mol. Its IUPAC name is 10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
• PubChem CID: 129290700
• Molecular Formula: C60H36N12O2
• Molecular Weight: 957.03 g/mol
• Exact Mass: 956.31
• IUPAC Name: 10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
• SMILES: c1ccc(-c2nc(-c3cccnc3)nc(-c3cc(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1
• InChI: InChI=1S/C60H36N12O2/c1-5-23-51-46(19-1)71(47-20-2-6-24-52(47)73-51)40-33-41-42(50(34-40)72-48-21-3-7-25-53(48)74-54-26-8-4-22-49(54)72)31-39(57-65-55(37-15-13-27-61-35-37)67-59(69-57)44-17-9-11-29-63-44)32-43(41)58-66-56(38-16-14-28-62-36-38)68-60(70-58)45-18-10-12-30-64-45/h1-36H
• InChIKey: HHTDGNFLLUFOMB-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 153.84 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	957.03
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?

The IUPAC name of 10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (CID 129290700) is 10-[3-phenoxazin-10-yl-5,7-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-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?

The canonical SMILES for 10-[3-phenoxazin-10-yl-5,7-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(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.

What is the InChIKey of 10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?

The InChIKey is HHTDGNFLLUFOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N12O2/c1-5-23-51-46(19-1)71(47-20-2-6-24-52(47)73-51)40-33-41-42(50(34-40)72-48-21-3-7-25-53(48)74-54-26-8-4-22-49(54)72)31-39(57-65-55(37-15-13-27-61-35-37)67-59(69-57)44-17-9-11-29-63-44)32-43(41)58-66-56(38-16-14-28-62-36-38)68-60(70-58)45-18-10-12-30-64-45/h1-36H.

What are the key properties of 10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?

10-[3-phenoxazin-10-yl-5,7-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-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129290700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).