10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine

C68H48N2O2 — CID 155335213

About 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine

10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine (PubChem CID 155335213) has the molecular formula C68H48N2O2 and a molecular weight of 925.14 g/mol. Its IUPAC name is 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine
• PubChem CID: 155335213
• Molecular Formula: C68H48N2O2
• Molecular Weight: 925.14 g/mol
• Exact Mass: 924.37
• IUPAC Name: 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine
• SMILES: CCN1c2ccccc2Oc2c(-c3ccc(-c4cccc5c(-c6ccccc6)c6cccc(-c7ccc(-c8cccc9c8Oc8ccccc8N9CC)c8ccccc78)c6cc45)c4ccccc34)cccc21
• InChI: InChI=1S/C68H48N2O2/c1-3-69-60-32-12-14-36-64(60)71-67-56(30-18-34-62(67)69)52-40-38-50(44-22-8-10-24-46(44)52)48-26-16-28-54-58(48)42-59-49(27-17-29-55(59)66(54)43-20-6-5-7-21-43)51-39-41-53(47-25-11-9-23-45(47)51)57-31-19-35-63-68(57)72-65-37-15-13-33-61(65)70(63)4-2/h5-42H,3-4H2,1-2H3
• InChIKey: GHOLSJZZEASPTL-UHFFFAOYSA-N
• XLogP: 19.16
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.14
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine?

The IUPAC name of 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine (CID 155335213) is 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine.

What is the SMILES notation for 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine?

The canonical SMILES for 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine is CCN1c2ccccc2Oc2c(-c3ccc(-c4cccc5c(-c6ccccc6)c6cccc(-c7ccc(-c8cccc9c8Oc8ccccc8N9CC)c8ccccc78)c6cc45)c4ccccc34)cccc21.

What is the InChIKey of 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine?

The InChIKey is GHOLSJZZEASPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2O2/c1-3-69-60-32-12-14-36-64(60)71-67-56(30-18-34-62(67)69)52-40-38-50(44-22-8-10-24-46(44)52)48-26-16-28-54-58(48)42-59-49(27-17-29-55(59)66(54)43-20-6-5-7-21-43)51-39-41-53(47-25-11-9-23-45(47)51)57-31-19-35-63-68(57)72-65-37-15-13-33-61(65)70(63)4-2/h5-42H,3-4H2,1-2H3.

What are the key properties of 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine?

10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine has a molecular weight of 925.14 g/mol, XLogP of 19.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-ethyl-4-[4-[8-[4-(10-ethylphenoxazin-4-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 155335213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).