6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile

C42H26FN7O — CID 144946714

IUPAC6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile
SMILESCC1(C)c2ccccc2N(c2cnc3c(c2)c2nc(F)c(C#N)nc2c2ccc(N4c5ccccc5Oc5ccccc54)nc23)c2ccccc21
InChIInChI=1S/C42H26FN7O/c1-42(2)27-11-3-5-13-30(27)49(31-14-6-4-12-28(31)42)24-21-26-37(45-23-24)38-25(39-40(26)48-41(43)29(22-44)46-39)19-20-36(47-38)50-32-15-7-9-17-34(32)51-35-18-10-8-16-33(35)50/h3-21,23H,1-2H3
InChIKeyWSOIIYHRJUVTNK-UHFFFAOYSA-N
MW663.72 g/mol
LogP10.42
Rot. Bonds2

About 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile

6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile (PubChem CID 144946714) has the molecular formula C42H26FN7O and a molecular weight of 663.72 g/mol. Its IUPAC name is 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile.

Molecular Properties

Compound Name6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile
PubChem CID144946714
Molecular FormulaC42H26FN7O
Molecular Weight663.72 g/mol
Exact Mass663.22
IUPAC Name6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile
SMILESCC1(C)c2ccccc2N(c2cnc3c(c2)c2nc(F)c(C#N)nc2c2ccc(N4c5ccccc5Oc5ccccc54)nc23)c2ccccc21
InChIInChI=1S/C42H26FN7O/c1-42(2)27-11-3-5-13-30(27)49(31-14-6-4-12-28(31)42)24-21-26-37(45-23-24)38-25(39-40(26)48-41(43)29(22-44)46-39)19-20-36(47-38)50-32-15-7-9-17-34(32)51-35-18-10-8-16-33(35)50/h3-21,23H,1-2H3
InChIKeyWSOIIYHRJUVTNK-UHFFFAOYSA-N
XLogP10.42
TPSA91.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.72
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-6,11-bis(5,5,6,6-tetramethylbenzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 144946696
10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049
6,11-bis(9,9-dimethylacridin-10-yl)-3-fluorotriphenylene-2-carbonitrile
CID 121477980
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide
CID 129089140
3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(9,9-dimethylacridin-10-yl)pyridine-2-carbonitrile
CID 177251510
11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline
CID 129089081
10-[4,8-bis(4,6-diphenylpyrimidin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine;10-[6-(9,9-dimethylacridin-10-yl)-4,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylacridine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 158798738
9,9-dimethyl-10-(6-methyl-3-pyridinyl)acridine
CID 118881708
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 155034855
6-[3-(9,9-dimethylacridin-10-yl)phenyl]pyridine-2-carbonitrile
CID 146543096

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile?
The IUPAC name of 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile (CID 144946714) is 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile.
What is the SMILES notation for 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile?
The canonical SMILES for 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile is CC1(C)c2ccccc2N(c2cnc3c(c2)c2nc(F)c(C#N)nc2c2ccc(N4c5ccccc5Oc5ccccc54)nc23)c2ccccc21.
What is the InChIKey of 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile?
The InChIKey is WSOIIYHRJUVTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26FN7O/c1-42(2)27-11-3-5-13-30(27)49(31-14-6-4-12-28(31)42)24-21-26-37(45-23-24)38-25(39-40(26)48-41(43)29(22-44)46-39)19-20-36(47-38)50-32-15-7-9-17-34(32)51-35-18-10-8-16-33(35)50/h3-21,23H,1-2H3.
What are the key properties of 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile?
6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile has a molecular weight of 663.72 g/mol, XLogP of 10.42, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile is sourced from PubChem (CID 144946714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).