10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine

C50H34N6O — CID 121244888

IUPAC10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3)n(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C50H34N6O/c1-3-15-35(16-4-1)49-51-50(56(52-49)40-33-31-39(32-34-40)55-45-23-11-13-25-47(45)57-48-26-14-12-24-46(48)55)36-27-29-38(30-28-36)54-43-21-9-7-19-41(43)53(37-17-5-2-6-18-37)42-20-8-10-22-44(42)54/h1-34H
InChIKeyIBKRNDOHUGZCDG-UHFFFAOYSA-N
MW734.86 g/mol
LogP13.43
Rot. Bonds6

About 10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine

10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine (PubChem CID 121244888) has the molecular formula C50H34N6O and a molecular weight of 734.86 g/mol. Its IUPAC name is 10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine
PubChem CID121244888
Molecular FormulaC50H34N6O
Molecular Weight734.86 g/mol
Exact Mass734.28
IUPAC Name10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3)n(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C50H34N6O/c1-3-15-35(16-4-1)49-51-50(56(52-49)40-33-31-39(32-34-40)55-45-23-11-13-25-47(45)57-48-26-14-12-24-46(48)55)36-27-29-38(30-28-36)54-43-21-9-7-19-41(43)53(37-17-5-2-6-18-37)42-20-8-10-22-44(42)54/h1-34H
InChIKeyIBKRNDOHUGZCDG-UHFFFAOYSA-N
XLogP13.43
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.86
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine (CID 121244888) is 10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine is c1ccc(-c2nc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3)n(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1.
What is the InChIKey of 10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine?
The InChIKey is IBKRNDOHUGZCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N6O/c1-3-15-35(16-4-1)49-51-50(56(52-49)40-33-31-39(32-34-40)55-45-23-11-13-25-47(45)57-48-26-14-12-24-46(48)55)36-27-29-38(30-28-36)54-43-21-9-7-19-41(43)53(37-17-5-2-6-18-37)42-20-8-10-22-44(42)54/h1-34H.
What are the key properties of 10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine?
10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine has a molecular weight of 734.86 g/mol, XLogP of 13.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,2,4-triazol-1-yl]phenyl]phenoxazine is sourced from PubChem (CID 121244888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).