3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine

C110H74N6O2 — CID 134431758

About 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine

3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine (PubChem CID 134431758) has the molecular formula C110H74N6O2 and a molecular weight of 1511.84 g/mol. Its IUPAC name is 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine
• PubChem CID: 134431758
• Molecular Formula: C110H74N6O2
• Molecular Weight: 1511.84 g/mol
• Exact Mass: 1510.59
• IUPAC Name: 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine
• SMILES: Cc1ccc2ccccc2c1-c1c(CCc2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cccc1-c1ccc2c(c1)Oc1ccccc1N2c1cccc(-c2ccccc2-c2cc(-c3ccccc3)cc(-n3c4cccc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)c4c4c5ccccc5ccc43)n2)c1
• InChI: InChI=1S/C110H74N6O2/c1-71-51-52-75-31-14-16-41-88(75)106(71)107-78(57-61-84-70-93(77-33-10-4-11-34-77)113-110(111-84)79-55-53-74(54-56-79)72-27-6-2-7-28-72)35-25-44-90(107)81-59-63-98-104(67-81)118-102-50-23-21-47-96(102)115(98)86-39-24-36-80(65-86)87-40-18-19-43-92(87)94-66-83(73-29-8-3-9-30-73)69-105(112-94)116-99-48-26-45-91(109(99)108-89-42-17-15-32-76(89)58-64-100(108)116)82-60-62-97-103(68-82)117-101-49-22-20-46-95(101)114(97)85-37-12-5-13-38-85/h2-56,58-60,62-70H,57,61H2,1H3
• InChIKey: CYAUKASFSIAMFD-UHFFFAOYSA-N
• XLogP: 29.52
• TPSA: 68.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1511.84
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine?

The IUPAC name of 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine (CID 134431758) is 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine.

What is the SMILES notation for 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine?

The canonical SMILES for 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine is Cc1ccc2ccccc2c1-c1c(CCc2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cccc1-c1ccc2c(c1)Oc1ccccc1N2c1cccc(-c2ccccc2-c2cc(-c3ccccc3)cc(-n3c4cccc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)c4c4c5ccccc5ccc43)n2)c1.

What is the InChIKey of 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine?

The InChIKey is CYAUKASFSIAMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H74N6O2/c1-71-51-52-75-31-14-16-41-88(75)106(71)107-78(57-61-84-70-93(77-33-10-4-11-34-77)113-110(111-84)79-55-53-74(54-56-79)72-27-6-2-7-28-72)35-25-44-90(107)81-59-63-98-104(67-81)118-102-50-23-21-47-96(102)115(98)86-39-24-36-80(65-86)87-40-18-19-43-92(87)94-66-83(73-29-8-3-9-30-73)69-105(112-94)116-99-48-26-45-91(109(99)108-89-42-17-15-32-76(89)58-64-100(108)116)82-60-62-97-103(68-82)117-101-49-22-20-46-95(101)114(97)85-37-12-5-13-38-85/h2-56,58-60,62-70H,57,61H2,1H3.

What are the key properties of 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine?

3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine has a molecular weight of 1511.84 g/mol, XLogP of 29.52, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2-methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine is sourced from PubChem (CID 134431758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).