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

C38H24N4OS — CID 118532643

IUPAC6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3cc4oc(-c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)cc5)nc4cc3s2)cc1
InChIInChI=1S/C38H24N4OS/c1-3-11-26(12-4-1)38-40-30-23-35-29(24-36(30)44-38)39-37(43-35)25-19-21-28(22-20-25)42-33-17-9-7-15-31(33)41(27-13-5-2-6-14-27)32-16-8-10-18-34(32)42/h1-24H
InChIKeyJGQODVDQXDGRFF-UHFFFAOYSA-N
MW584.70 g/mol
LogP11.02
Rot. Bonds4

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

6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole (PubChem CID 118532643) has the molecular formula C38H24N4OS and a molecular weight of 584.70 g/mol. Its IUPAC name is 6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole
PubChem CID118532643
Molecular FormulaC38H24N4OS
Molecular Weight584.70 g/mol
Exact Mass584.17
IUPAC Name6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3cc4oc(-c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)cc5)nc4cc3s2)cc1
InChIInChI=1S/C38H24N4OS/c1-3-11-26(12-4-1)38-40-30-23-35-29(24-36(30)44-38)39-37(43-35)25-19-21-28(22-20-25)42-33-17-9-7-15-31(33)41(27-13-5-2-6-14-27)32-16-8-10-18-34(32)42/h1-24H
InChIKeyJGQODVDQXDGRFF-UHFFFAOYSA-N
XLogP11.02
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.70
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole (CID 118532643) is 6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole is c1ccc(-c2nc3cc4oc(-c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)cc5)nc4cc3s2)cc1.
What is the InChIKey of 6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
The InChIKey is JGQODVDQXDGRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4OS/c1-3-11-26(12-4-1)38-40-30-23-35-29(24-36(30)44-38)39-37(43-35)25-19-21-28(22-20-25)42-33-17-9-7-15-31(33)41(27-13-5-2-6-14-27)32-16-8-10-18-34(32)42/h1-24H.
What are the key properties of 6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole?
6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole has a molecular weight of 584.70 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 118532643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).