9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C123H105N9OSSi — CID 157346470

IUPAC9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc(-n2c3ccncc3c3cnccc32)cc1.Cc1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1.Cc1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1.Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1.Cc1ccc(N2c3ccccc3Sc3ccccc32)cc1.Cc1ccc(N2c3ccccc3[Si](C)(C)c3ccccc32)cc1
InChIInChI=1S/C25H20N2.C22H21N.C21H21NSi.C19H15NO.C19H15NS.C17H13N3/c1-19-15-17-21(18-16-19)27-24-13-7-5-11-22(24)26(20-9-3-2-4-10-20)23-12-6-8-14-25(23)27;1-16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)22(2,3)19-9-5-7-11-21(19)23;1-16-12-14-17(15-13-16)22-18-8-4-6-10-20(18)23(2,3)21-11-7-5-9-19(21)22;2*1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21-19-9-5-3-7-17(19)20;1-12-2-4-13(5-3-12)20-16-6-8-18-10-14(16)15-11-19-9-7-17(15)20/h2-18H,1H3;2*4-15H,1-3H3;2*2-13H,1H3;2-11H,1H3
InChIKeyBHAKJDVLWOPYRO-UHFFFAOYSA-N
MW1785.41 g/mol
LogP33.34
Rot. Bonds7

About 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157346470) has the molecular formula C123H105N9OSSi and a molecular weight of 1785.41 g/mol. Its IUPAC name is 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID157346470
Molecular FormulaC123H105N9OSSi
Molecular Weight1785.41 g/mol
Exact Mass1783.79
IUPAC Name9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc(-n2c3ccncc3c3cnccc32)cc1.Cc1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1.Cc1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1.Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1.Cc1ccc(N2c3ccccc3Sc3ccccc32)cc1.Cc1ccc(N2c3ccccc3[Si](C)(C)c3ccccc32)cc1
InChIInChI=1S/C25H20N2.C22H21N.C21H21NSi.C19H15NO.C19H15NS.C17H13N3/c1-19-15-17-21(18-16-19)27-24-13-7-5-11-22(24)26(20-9-3-2-4-10-20)23-12-6-8-14-25(23)27;1-16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)22(2,3)19-9-5-7-11-21(19)23;1-16-12-14-17(15-13-16)22-18-8-4-6-10-20(18)23(2,3)21-11-7-5-9-19(21)22;2*1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21-19-9-5-3-7-17(19)20;1-12-2-4-13(5-3-12)20-16-6-8-18-10-14(16)15-11-19-9-7-17(15)20/h2-18H,1H3;2*4-15H,1-3H3;2*2-13H,1H3;2-11H,1H3
InChIKeyBHAKJDVLWOPYRO-UHFFFAOYSA-N
XLogP33.34
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001785.41
LogP ≤ 533.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

10-[6-Phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine
CID 129089096
6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine
CID 129089097
3-[9-[4-[7-Carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine
CID 130354396
10-(7-Phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine
CID 130396218
10-[4-[7-(4-Phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine
CID 130396227
CID 141663530
CID 141663530
3-Tert-butyl-7-[3-[6-tert-butyl-9-(6-methyl-3-pyridinyl)carbazol-3-yl]-2,3-dimethylbutan-2-yl]-10-(2-methyl-4-pyridinyl)phenoxazine
CID 144627962
10-(5'-Carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine
CID 146654615
10-[5,5',11-Tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl]phenoxazine
CID 146654616
10-[(8S)-5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl]phenoxazine
CID 146654625
10-(6'-Carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl)phenoxazine
CID 146654641
10-[5,11-Di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine
CID 146655508

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157346470) is 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1ccc(-n2c3ccncc3c3cnccc32)cc1.Cc1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1.Cc1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1.Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1.Cc1ccc(N2c3ccccc3Sc3ccccc32)cc1.Cc1ccc(N2c3ccccc3[Si](C)(C)c3ccccc32)cc1.
What is the InChIKey of 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is BHAKJDVLWOPYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2.C22H21N.C21H21NSi.C19H15NO.C19H15NS.C17H13N3/c1-19-15-17-21(18-16-19)27-24-13-7-5-11-22(24)26(20-9-3-2-4-10-20)23-12-6-8-14-25(23)27;1-16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)22(2,3)19-9-5-7-11-21(19)23;1-16-12-14-17(15-13-16)22-18-8-4-6-10-20(18)23(2,3)21-11-7-5-9-19(21)22;2*1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21-19-9-5-3-7-17(19)20;1-12-2-4-13(5-3-12)20-16-6-8-18-10-14(16)15-11-19-9-7-17(15)20/h2-18H,1H3;2*4-15H,1-3H3;2*2-13H,1H3;2-11H,1H3.
What are the key properties of 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1785.41 g/mol, XLogP of 33.34, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157346470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).