10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine

C35H20F8N2O — CID 154613165

IUPAC10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine
SMILESCc1c(C)c(-c2c3c(F)c(F)c(F)c(F)c3nc3c(F)c(F)c(F)c(F)c23)c(C)c(N2c3ccccc3Oc3ccccc32)c1C
InChIInChI=1S/C35H20F8N2O/c1-13-14(2)21(16(4)35(15(13)3)45-17-9-5-7-11-19(17)46-20-12-8-6-10-18(20)45)22-23-25(36)27(38)29(40)31(42)33(23)44-34-24(22)26(37)28(39)30(41)32(34)43/h5-12H,1-4H3
InChIKeyYAGQBCXIXQJPST-UHFFFAOYSA-N
MW636.54 g/mol
LogP10.98
Rot. Bonds2

About 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine

10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine (PubChem CID 154613165) has the molecular formula C35H20F8N2O and a molecular weight of 636.54 g/mol. Its IUPAC name is 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine
PubChem CID154613165
Molecular FormulaC35H20F8N2O
Molecular Weight636.54 g/mol
Exact Mass636.14
IUPAC Name10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine
SMILESCc1c(C)c(-c2c3c(F)c(F)c(F)c(F)c3nc3c(F)c(F)c(F)c(F)c23)c(C)c(N2c3ccccc3Oc3ccccc32)c1C
InChIInChI=1S/C35H20F8N2O/c1-13-14(2)21(16(4)35(15(13)3)45-17-9-5-7-11-19(17)46-20-12-8-6-10-18(20)45)22-23-25(36)27(38)29(40)31(42)33(23)44-34-24(22)26(37)28(39)30(41)32(34)43/h5-12H,1-4H3
InChIKeyYAGQBCXIXQJPST-UHFFFAOYSA-N
XLogP10.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.54
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine?
The IUPAC name of 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine (CID 154613165) is 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine is Cc1c(C)c(-c2c3c(F)c(F)c(F)c(F)c3nc3c(F)c(F)c(F)c(F)c23)c(C)c(N2c3ccccc3Oc3ccccc32)c1C.
What is the InChIKey of 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine?
The InChIKey is YAGQBCXIXQJPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20F8N2O/c1-13-14(2)21(16(4)35(15(13)3)45-17-9-5-7-11-19(17)46-20-12-8-6-10-18(20)45)22-23-25(36)27(38)29(40)31(42)33(23)44-34-24(22)26(37)28(39)30(41)32(34)43/h5-12H,1-4H3.
What are the key properties of 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine?
10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine has a molecular weight of 636.54 g/mol, XLogP of 10.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,3,4,6-tetramethyl-5-(1,2,3,4,5,6,7,8-octafluoroacridin-9-yl)phenyl]phenoxazine is sourced from PubChem (CID 154613165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).