6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile

C44H28FN5O — CID 118912743

IUPAC6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3c4cc(N5c6ccccc6Oc6ccccc65)ccc4c4nc(C#N)c(F)nc4c3c2)c2ccccc21
InChIInChI=1S/C44H28FN5O/c1-44(2)32-11-3-5-13-35(32)49(36-14-6-4-12-33(36)44)27-19-21-28-30-23-26(50-37-15-7-9-17-39(37)51-40-18-10-8-16-38(40)50)20-22-29(30)41-42(31(28)24-27)48-43(45)34(25-46)47-41/h3-24H,1-2H3
InChIKeyWCRMDQSYONWEDK-UHFFFAOYSA-N
MW661.74 g/mol
LogP11.63
Rot. Bonds2

About 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile

6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile (PubChem CID 118912743) has the molecular formula C44H28FN5O and a molecular weight of 661.74 g/mol. Its IUPAC name is 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile
PubChem CID118912743
Molecular FormulaC44H28FN5O
Molecular Weight661.74 g/mol
Exact Mass661.23
IUPAC Name6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3c4cc(N5c6ccccc6Oc6ccccc65)ccc4c4nc(C#N)c(F)nc4c3c2)c2ccccc21
InChIInChI=1S/C44H28FN5O/c1-44(2)32-11-3-5-13-35(32)49(36-14-6-4-12-33(36)44)27-19-21-28-30-23-26(50-37-15-7-9-17-39(37)51-40-18-10-8-16-38(40)50)20-22-29(30)41-42(31(28)24-27)48-43(45)34(25-46)47-41/h3-24H,1-2H3
InChIKeyWCRMDQSYONWEDK-UHFFFAOYSA-N
XLogP11.63
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.74
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3,6-Bis(4-methylpiperazin-1-yl)-11-phenoxyphenanthro[9,10-b]quinoxaline
CID 166635861
10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
10-(19-Phenoxazin-10-yl-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaen-7-yl)phenoxazine
CID 132526323
4-[4-(4-Cyano-2-methylphenyl)-2-(3,6-difluorocarbazol-9-yl)-3-(2,8-difluorophenoxazin-10-yl)phenyl]-3-methylbenzonitrile
CID 132111916
3-[2-(3-Cyanophenyl)-4-(2,7-difluorocarbazol-9-yl)-5-(2,8-diphenylphenoxazin-10-yl)phenyl]benzonitrile
CID 132112154
3,4-Bis(10-phenylphenoxazin-2-yl)-5,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 137368990
3,5-Bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile
CID 137369017
10-[6-(9,9-Dimethylacridin-10-yl)-3-fluoro-2-isocyanophenanthro[9,10-b]pyrazin-10-yl]phenoxazine
CID 140704120
2-Fluoro-4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413501
4-(2,5-Dimethyl-4-phenoxazin-10-ylphenyl)-2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413572
4-Fluoro-6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile
CID 145413666
6-(2,5-Dimethyl-4-phenoxazin-10-ylphenyl)-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile
CID 145413680

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile?
The IUPAC name of 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile (CID 118912743) is 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile?
The canonical SMILES for 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile is CC1(C)c2ccccc2N(c2ccc3c4cc(N5c6ccccc6Oc6ccccc65)ccc4c4nc(C#N)c(F)nc4c3c2)c2ccccc21.
What is the InChIKey of 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile?
The InChIKey is WCRMDQSYONWEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28FN5O/c1-44(2)32-11-3-5-13-35(32)49(36-14-6-4-12-33(36)44)27-19-21-28-30-23-26(50-37-15-7-9-17-39(37)51-40-18-10-8-16-38(40)50)20-22-29(30)41-42(31(28)24-27)48-43(45)34(25-46)47-41/h3-24H,1-2H3.
What are the key properties of 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile?
6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile has a molecular weight of 661.74 g/mol, XLogP of 11.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile is sourced from PubChem (CID 118912743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).