2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole

C56H36N6OS — CID 118532520

IUPAC2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole
SMILESc1ccc(N2c3ccccc3N(c3ccc(-c4nc5cc6sc(-c7ccc(N8c9ccccc9N(c9ccccc9)c9ccccc98)cc7)nc6cc5o4)cc3)c3ccccc32)cc1
InChIInChI=1S/C56H36N6OS/c1-3-15-39(16-4-1)59-45-19-7-11-23-49(45)61(50-24-12-8-20-46(50)59)41-31-27-37(28-32-41)55-57-43-36-54-44(35-53(43)63-55)58-56(64-54)38-29-33-42(34-30-38)62-51-25-13-9-21-47(51)60(40-17-5-2-6-18-40)48-22-10-14-26-52(48)62/h1-36H
InChIKeyZISWAOKSAGOHJI-UHFFFAOYSA-N
MW841.01 g/mol
LogP16.28
Rot. Bonds6

About 2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole

2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole (PubChem CID 118532520) has the molecular formula C56H36N6OS and a molecular weight of 841.01 g/mol. Its IUPAC name is 2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole
PubChem CID118532520
Molecular FormulaC56H36N6OS
Molecular Weight841.01 g/mol
Exact Mass840.27
IUPAC Name2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole
SMILESc1ccc(N2c3ccccc3N(c3ccc(-c4nc5cc6sc(-c7ccc(N8c9ccccc9N(c9ccccc9)c9ccccc98)cc7)nc6cc5o4)cc3)c3ccccc32)cc1
InChIInChI=1S/C56H36N6OS/c1-3-15-39(16-4-1)59-45-19-7-11-23-49(45)61(50-24-12-8-20-46(50)59)41-31-27-37(28-32-41)55-57-43-36-54-44(35-53(43)63-55)58-56(64-54)38-29-33-42(34-30-38)62-51-25-13-9-21-47(51)60(40-17-5-2-6-18-40)48-22-10-14-26-52(48)62/h1-36H
InChIKeyZISWAOKSAGOHJI-UHFFFAOYSA-N
XLogP16.28
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.01
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole (CID 118532520) is 2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole is c1ccc(N2c3ccccc3N(c3ccc(-c4nc5cc6sc(-c7ccc(N8c9ccccc9N(c9ccccc9)c9ccccc98)cc7)nc6cc5o4)cc3)c3ccccc32)cc1.
What is the InChIKey of 2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
The InChIKey is ZISWAOKSAGOHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6OS/c1-3-15-39(16-4-1)59-45-19-7-11-23-49(45)61(50-24-12-8-20-46(50)59)41-31-27-37(28-32-41)55-57-43-36-54-44(35-53(43)63-55)58-56(64-54)38-29-33-42(34-30-38)62-51-25-13-9-21-47(51)60(40-17-5-2-6-18-40)48-22-10-14-26-52(48)62/h1-36H.
What are the key properties of 2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole has a molecular weight of 841.01 g/mol, XLogP of 16.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 118532520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).