10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine

C35H27N5O — CID 121244890

IUPAC10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2nc(N3c4ccccc4Oc4ccccc43)n(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C35H27N5O/c1-35(2)25-16-6-8-18-27(25)38(28-19-9-7-17-26(28)35)33-36-34(40(37-33)24-14-4-3-5-15-24)39-29-20-10-12-22-31(29)41-32-23-13-11-21-30(32)39/h3-23H,1-2H3
InChIKeyHRXLUHKKTGWPJT-UHFFFAOYSA-N
MW533.64 g/mol
LogP8.95
Rot. Bonds3

About 10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine

10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine (PubChem CID 121244890) has the molecular formula C35H27N5O and a molecular weight of 533.64 g/mol. Its IUPAC name is 10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine.

Molecular Properties

Compound Name10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine
PubChem CID121244890
Molecular FormulaC35H27N5O
Molecular Weight533.64 g/mol
Exact Mass533.22
IUPAC Name10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2nc(N3c4ccccc4Oc4ccccc43)n(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C35H27N5O/c1-35(2)25-16-6-8-18-27(25)38(28-19-9-7-17-26(28)35)33-36-34(40(37-33)24-14-4-3-5-15-24)39-29-20-10-12-22-31(29)41-32-23-13-11-21-30(32)39/h3-23H,1-2H3
InChIKeyHRXLUHKKTGWPJT-UHFFFAOYSA-N
XLogP8.95
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.64
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine?
The IUPAC name of 10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine (CID 121244890) is 10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine.
What is the SMILES notation for 10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine?
The canonical SMILES for 10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine is CC1(C)c2ccccc2N(c2nc(N3c4ccccc4Oc4ccccc43)n(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of 10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine?
The InChIKey is HRXLUHKKTGWPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N5O/c1-35(2)25-16-6-8-18-27(25)38(28-19-9-7-17-26(28)35)33-36-34(40(37-33)24-14-4-3-5-15-24)39-29-20-10-12-22-31(29)41-32-23-13-11-21-30(32)39/h3-23H,1-2H3.
What are the key properties of 10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine?
10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine has a molecular weight of 533.64 g/mol, XLogP of 8.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-(9,9-dimethylacridin-10-yl)-2-phenyl-1,2,4-triazol-3-yl]phenoxazine is sourced from PubChem (CID 121244890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).